N-nonyl-N-(2-phenylethenyl)nonan-1-amine

C26H45N — CID 139723314

IUPACN-nonyl-N-(2-phenylethenyl)nonan-1-amine
SMILESCCCCCCCCCN(C=Cc1ccccc1)CCCCCCCCC
InChIInChI=1S/C26H45N/c1-3-5-7-9-11-13-18-23-27(24-19-14-12-10-8-6-4-2)25-22-26-20-16-15-17-21-26/h15-17,20-22,25H,3-14,18-19,23-24H2,1-2H3
InChIKeyJCPCBNVCFFCVHF-UHFFFAOYSA-N
MW371.65 g/mol
LogP8.46
Rot. Bonds18

About N-nonyl-N-(2-phenylethenyl)nonan-1-amine

N-nonyl-N-(2-phenylethenyl)nonan-1-amine (PubChem CID 139723314) has the molecular formula C26H45N and a molecular weight of 371.65 g/mol. Its IUPAC name is N-nonyl-N-(2-phenylethenyl)nonan-1-amine.

Molecular Properties

Compound NameN-nonyl-N-(2-phenylethenyl)nonan-1-amine
PubChem CID139723314
Molecular FormulaC26H45N
Molecular Weight371.65 g/mol
Exact Mass371.36
IUPAC NameN-nonyl-N-(2-phenylethenyl)nonan-1-amine
SMILESCCCCCCCCCN(C=Cc1ccccc1)CCCCCCCCC
InChIInChI=1S/C26H45N/c1-3-5-7-9-11-13-18-23-27(24-19-14-12-10-8-6-4-2)25-22-26-20-16-15-17-21-26/h15-17,20-22,25H,3-14,18-19,23-24H2,1-2H3
InChIKeyJCPCBNVCFFCVHF-UHFFFAOYSA-N
XLogP8.46
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.65
LogP ≤ 58.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'-hexyl-N'-[(Z)-2-phenylethenyl]propane-1,3-diamine
CID 89198312
N-octadecyl-N-(4-phenylbut-3-enyl)octadecan-1-amine
CID 54387361
2-methyl-N,N-bis[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722692
2-methyl-N-(2-methyltetradecan-2-yl)-N-[(E)-2-phenylethenyl]tetradecan-2-amine
CID 139722796
[(E)-octadec-1-enyl]benzene
CID 22722345
pentan-1-ol;(E)-stilbene
CID 172553874
N-benzyl-N-hexylmethanethioamide
CID 54136238
16-methyl-N,N-bis(2-phenylethenyl)heptadecan-1-amine
CID 139723987
1-octadecyl-4-[(E)-2-phenylethenyl]pyridin-1-ium
CID 44630420
octadeca-1,3-dienylbenzene
CID 54155436
[(1E,3E)-undeca-1,3-dienyl]benzene
CID 10633133

Frequently Asked Questions

What is the IUPAC name of N-nonyl-N-(2-phenylethenyl)nonan-1-amine?
The IUPAC name of N-nonyl-N-(2-phenylethenyl)nonan-1-amine (CID 139723314) is N-nonyl-N-(2-phenylethenyl)nonan-1-amine.
What is the SMILES notation for N-nonyl-N-(2-phenylethenyl)nonan-1-amine?
The canonical SMILES for N-nonyl-N-(2-phenylethenyl)nonan-1-amine is CCCCCCCCCN(C=Cc1ccccc1)CCCCCCCCC.
What is the InChIKey of N-nonyl-N-(2-phenylethenyl)nonan-1-amine?
The InChIKey is JCPCBNVCFFCVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N/c1-3-5-7-9-11-13-18-23-27(24-19-14-12-10-8-6-4-2)25-22-26-20-16-15-17-21-26/h15-17,20-22,25H,3-14,18-19,23-24H2,1-2H3.
What are the key properties of N-nonyl-N-(2-phenylethenyl)nonan-1-amine?
N-nonyl-N-(2-phenylethenyl)nonan-1-amine has a molecular weight of 371.65 g/mol, XLogP of 8.46, 18 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-nonyl-N-(2-phenylethenyl)nonan-1-amine is sourced from PubChem (CID 139723314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).