N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine

C17H28N2 — CID 89198312

IUPACN'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
SMILESCCCCCCN(/C=C\c1ccccc1)CCCN
InChIInChI=1S/C17H28N2/c1-2-3-4-8-14-19(15-9-13-18)16-12-17-10-6-5-7-11-17/h5-7,10-12,16H,2-4,8-9,13-15,18H2,1H3/b16-12-
InChIKeyJVIHXHLTUJTGKE-VBKFSLOCSA-N
MW260.43 g/mol
LogP3.89
Rot. Bonds10

About N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine

N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine (PubChem CID 89198312) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
PubChem CID89198312
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
SMILESCCCCCCN(/C=C\c1ccccc1)CCCN
InChIInChI=1S/C17H28N2/c1-2-3-4-8-14-19(15-9-13-18)16-12-17-10-6-5-7-11-17/h5-7,10-12,16H,2-4,8-9,13-15,18H2,1H3/b16-12-
InChIKeyJVIHXHLTUJTGKE-VBKFSLOCSA-N
XLogP3.89
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-heptadecyl-N-(2-phenylethenyl)heptadecan-1-amine
CID 139723888
N-nonyl-N-(2-phenylethenyl)nonan-1-amine
CID 139723314
octadecan-1-amine;(E)-3-phenylprop-2-enal
CID 175548086
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
(E)-N-(3-aminopropyl)-N-methyl-2-phenylethenesulfonamide
CID 113285744
[(E)-octadec-1-enyl]benzene
CID 22722345
benzene;octadecan-1-amine
CID 175562752
N-(3-aminopropyl)-N-[4-[3-aminopropyl(3-phenylprop-2-enoyl)amino]butyl]-3-phenylprop-2-enamide
CID 85302044
hexadecan-1-amine;phenol
CID 175347138
pentan-1-ol;(E)-stilbene
CID 172553874

Frequently Asked Questions

What is the IUPAC name of N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine?
The IUPAC name of N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine (CID 89198312) is N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine.
What is the SMILES notation for N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine?
The canonical SMILES for N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine is CCCCCCN(/C=C\c1ccccc1)CCCN.
What is the InChIKey of N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine?
The InChIKey is JVIHXHLTUJTGKE-VBKFSLOCSA-N. The full InChI is InChI=1S/C17H28N2/c1-2-3-4-8-14-19(15-9-13-18)16-12-17-10-6-5-7-11-17/h5-7,10-12,16H,2-4,8-9,13-15,18H2,1H3/b16-12-.
What are the key properties of N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine?
N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine has a molecular weight of 260.43 g/mol, XLogP of 3.89, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine is sourced from PubChem (CID 89198312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).