2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine

C16H32FN3 — CID 155442418

IUPAC2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
SMILESC=C(NC(C)C(=C)NC(CF)CCC)C(N)CC(C)C
InChIInChI=1S/C16H32FN3/c1-7-8-15(10-17)20-13(5)12(4)19-14(6)16(18)9-11(2)3/h11-12,15-16,19-20H,5-10,18H2,1-4H3
InChIKeyDIBAIIWNICISFM-UHFFFAOYSA-N
MW285.45 g/mol
LogP3.09
Rot. Bonds11

About 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine

2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine (PubChem CID 155442418) has the molecular formula C16H32FN3 and a molecular weight of 285.45 g/mol. Its IUPAC name is 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine.

Molecular Properties

Compound Name2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
PubChem CID155442418
Molecular FormulaC16H32FN3
Molecular Weight285.45 g/mol
Exact Mass285.26
IUPAC Name2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine
SMILESC=C(NC(C)C(=C)NC(CF)CCC)C(N)CC(C)C
InChIInChI=1S/C16H32FN3/c1-7-8-15(10-17)20-13(5)12(4)19-14(6)16(18)9-11(2)3/h11-12,15-16,19-20H,5-10,18H2,1-4H3
InChIKeyDIBAIIWNICISFM-UHFFFAOYSA-N
XLogP3.09
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.45
LogP ≤ 53.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine with MolForge

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Related Compounds

2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 132222077
3-N-tert-butyl-2-N-(1-fluoro-6,6-dimethyl-5-methylideneheptan-4-yl)-4-methylpent-1-ene-2,3-diamine
CID 134403276
4-N-(4-fluoro-5-methylhexyl)-1-N,1-N-dimethylpent-4-ene-1,4-diamine
CID 139394923
N'-fluoro-N'-[2-(4-methylpent-1-en-2-ylamino)ethyl]-N-(4-methylpentyl)ethane-1,2-diamine
CID 139472312
2-fluoro-3-methyl-N-(3-methylbut-1-en-2-yl)-N'-propan-2-ylhexane-1,6-diamine
CID 170005542
2-N,5-dimethyl-1-N-[2-[3-(methylamino)prop-1-en-2-ylamino]but-3-enyl]-1-N-(2,2,2-trifluoroethyl)hept-6-ene-1,2,6-triamine
CID 174259071
1-[(4S)-4-(difluoromethyl)pyrrolidin-2-yl]-N-methylethenamine
CID 162598593
1-N,1-N,6-N-trimethyl-6-N-(3-methylbutyl)hept-6-ene-1,5,6-triamine
CID 124082552
5-N,5-N-dimethyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126537911
1-N-methyl-6-N-(2-methylheptan-3-yl)hept-6-ene-1,5,6-triamine
CID 126538746
3-N-but-1-en-2-yl-2-N-(2,5-dimethyl-4-methylidenehexan-3-yl)-2-N-methylpent-1-ene-2,3-diamine
CID 126704532
1-N-methyl-5-N-(5-methylhexyl)-1-N-propan-2-ylhex-5-ene-1,5-diamine
CID 130335401

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine?
The IUPAC name of 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine (CID 155442418) is 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine.
What is the SMILES notation for 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine?
The canonical SMILES for 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine is C=C(NC(C)C(=C)NC(CF)CCC)C(N)CC(C)C.
What is the InChIKey of 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine?
The InChIKey is DIBAIIWNICISFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32FN3/c1-7-8-15(10-17)20-13(5)12(4)19-14(6)16(18)9-11(2)3/h11-12,15-16,19-20H,5-10,18H2,1-4H3.
What are the key properties of 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine?
2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine has a molecular weight of 285.45 g/mol, XLogP of 3.09, 11 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(1-fluoropentan-2-ylamino)but-3-en-2-yl]-5-methylhex-1-ene-2,3-diamine is sourced from PubChem (CID 155442418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).