3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine

C16H25FN2 — CID 134321570

IUPAC3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
SMILESC=C(NC)C(C1=CCC1)C(C)NCC(F)C1=CCC1
InChIInChI=1S/C16H25FN2/c1-11(18-3)16(14-8-5-9-14)12(2)19-10-15(17)13-6-4-7-13/h6,8,12,15-16,18-19H,1,4-5,7,9-10H2,2-3H3
InChIKeyBMSYYSFGKQQQNB-UHFFFAOYSA-N
MW264.39 g/mol
LogP3.09
Rot. Bonds8

About 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine

3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine (PubChem CID 134321570) has the molecular formula C16H25FN2 and a molecular weight of 264.39 g/mol. Its IUPAC name is 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine.

Molecular Properties

Compound Name3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
PubChem CID134321570
Molecular FormulaC16H25FN2
Molecular Weight264.39 g/mol
Exact Mass264.20
IUPAC Name3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
SMILESC=C(NC)C(C1=CCC1)C(C)NCC(F)C1=CCC1
InChIInChI=1S/C16H25FN2/c1-11(18-3)16(14-8-5-9-14)12(2)19-10-15(17)13-6-4-7-13/h6,8,12,15-16,18-19H,1,4-5,7,9-10H2,2-3H3
InChIKeyBMSYYSFGKQQQNB-UHFFFAOYSA-N
XLogP3.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.39
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine with MolForge

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Related Compounds

(4R,6Z,8E)-6-ethyl-8-fluoro-4-methyl-N-[(4Z,6Z)-6-methyl-3-methylideneocta-4,6-dien-2-yl]undeca-1,6,8,10-tetraen-2-amine
CID 88997990
(11E)-6-fluoro-2-prop-1-en-2-yl-4,8-diazabicyclo[11.1.1]pentadeca-1(14),11-diene
CID 134321892
1-(6-fluoro-9-methyl-8-azatricyclo[9.1.1.02,5]trideca-2(5),11-dien-10-yl)-N-methylethenamine
CID 134321901
3-(aminomethyl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
CID 138645908
(E)-5-ethyl-6-N-[(E)-3-ethyl-4-fluorohex-2-en-2-yl]-1-N,2-dimethylhept-1-ene-1,6-diamine
CID 146514744
(6Z)-6-[(1S)-1-fluoro-2-methyl-4-methylidenecyclobut-2-en-1-yl]-4-N-methylnona-1,6-diene-2,4-diamine
CID 164114085
(5S)-6-fluoro-5-methyl-N-propan-2-yl-4-prop-1-en-2-ylcyclohexa-1,3-dien-1-amine
CID 164155149
N-[1-[5-[(1E)-2-fluorobuta-1,3-dienyl]-1,2,6-trimethyl-3,4-dihydro-2H-pyridin-3-yl]ethenyl]-2-methylpentan-3-amine
CID 166894940
(3S,5S,7Z,9E)-1-N-ethyl-9-fluoro-5-methyl-6-methylidene-3-N-propan-2-ylundeca-7,9-diene-1,3-diamine
CID 169644117
3-(1-aminoethyl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine
CID 169938403
(3R,5S)-3-fluoro-3,5-dimethyl-N-(2-methylpropyl)cyclohexen-1-amine
CID 173813968
(5R)-4-fluoro-5-(fluoromethyl)-N-[(2S)-6-methylhept-6-en-2-yl]cyclohexen-1-amine
CID 174095620

Frequently Asked Questions

What is the IUPAC name of 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine?
The IUPAC name of 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine (CID 134321570) is 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine.
What is the SMILES notation for 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine?
The canonical SMILES for 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine is C=C(NC)C(C1=CCC1)C(C)NCC(F)C1=CCC1.
What is the InChIKey of 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine?
The InChIKey is BMSYYSFGKQQQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN2/c1-11(18-3)16(14-8-5-9-14)12(2)19-10-15(17)13-6-4-7-13/h6,8,12,15-16,18-19H,1,4-5,7,9-10H2,2-3H3.
What are the key properties of 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine?
3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine has a molecular weight of 264.39 g/mol, XLogP of 3.09, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclobuten-1-yl)-4-N-[2-(cyclobuten-1-yl)-2-fluoroethyl]-2-N-methylpent-1-ene-2,4-diamine is sourced from PubChem (CID 134321570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).