4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine

C17H28N2 — CID 142304947

IUPAC4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine
SMILESC=C(NCC1CC1)C(C)C(C)NCC1=CCCC=C1
InChIInChI=1S/C17H28N2/c1-13(15(3)19-12-17-9-10-17)14(2)18-11-16-7-5-4-6-8-16/h5,7-8,13-14,17-19H,3-4,6,9-12H2,1-2H3
InChIKeySXIKPQGCCMEUGF-UHFFFAOYSA-N
MW260.42 g/mol
LogP3.39
Rot. Bonds8

About 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine

4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine (PubChem CID 142304947) has the molecular formula C17H28N2 and a molecular weight of 260.42 g/mol. Its IUPAC name is 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine.

Molecular Properties

Compound Name4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine
PubChem CID142304947
Molecular FormulaC17H28N2
Molecular Weight260.42 g/mol
Exact Mass260.23
IUPAC Name4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine
SMILESC=C(NCC1CC1)C(C)C(C)NCC1=CCCC=C1
InChIInChI=1S/C17H28N2/c1-13(15(3)19-12-17-9-10-17)14(2)18-11-16-7-5-4-6-8-16/h5,7-8,13-14,17-19H,3-4,6,9-12H2,1-2H3
InChIKeySXIKPQGCCMEUGF-UHFFFAOYSA-N
XLogP3.39
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine with MolForge

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Related Compounds

(3E,5Z)-6-N-(1-cyclopropylpropyl)-5-fluoro-3-prop-1-en-2-ylhepta-1,3,5-triene-2,6-diamine
CID 134187781
3,5-difluoro-N-[(2E,4E,6Z)-5-propan-2-ylocta-2,4,6-trien-3-yl]cyclohexa-2,4-dien-1-amine
CID 134406911
(2E,4Z,6E)-3-cyclopropyl-2-fluoro-4-N-(2-methylpropyl)octa-2,4,6-triene-4,5-diamine
CID 146550620
6-Cyclopropyl-1,2-dihydropyridine
CID 19606175
5-methyl-2-propyl-3a,7a-dihydro-1H-indole
CID 20708622
N-tert-butyl-6-[(tert-butylamino)methyl]cyclohexa-2,4-dien-1-amine
CID 57579932
N-cyclohexa-2,4-dien-1-yl-4-methylcyclohexa-1,5-dien-1-amine
CID 58121899
4-N-[3-(dibutylamino)propyl]-6-methylcyclohexa-1,5-diene-1,4-diamine
CID 58598922
1-N,4-N-di(butan-2-yl)-3,4-dimethylcyclohexa-1,5-diene-1,4-diamine
CID 66831566
3-Cyclopropyl-6-methyl-1,2-dihydropyridine
CID 67962666
2,3-dimethyl-6-methylidene-2,3-dihydro-1H-pyridine
CID 68012358
(5S)-3,7-di(cyclohexa-1,5-dien-1-yl)-5-methyl-2,3,4,5-tetrahydro-1H-1,4-diazepine
CID 68077420

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine?
The IUPAC name of 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine (CID 142304947) is 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine.
What is the SMILES notation for 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine?
The canonical SMILES for 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine is C=C(NCC1CC1)C(C)C(C)NCC1=CCCC=C1.
What is the InChIKey of 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine?
The InChIKey is SXIKPQGCCMEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-13(15(3)19-12-17-9-10-17)14(2)18-11-16-7-5-4-6-8-16/h5,7-8,13-14,17-19H,3-4,6,9-12H2,1-2H3.
What are the key properties of 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine?
4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine has a molecular weight of 260.42 g/mol, XLogP of 3.39, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclohexa-1,5-dien-1-ylmethyl)-2-N-(cyclopropylmethyl)-3-methylpent-1-ene-2,4-diamine is sourced from PubChem (CID 142304947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).