N,N-dihexyl-12-phenyldodecan-1-amine

C30H55N — CID 158185325

IUPACN,N-dihexyl-12-phenyldodecan-1-amine
SMILESCCCCCCN(CCCCCC)CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C30H55N/c1-3-5-7-21-27-31(28-22-8-6-4-2)29-23-16-14-12-10-9-11-13-15-18-24-30-25-19-17-20-26-30/h17,19-20,25-26H,3-16,18,21-24,27-29H2,1-2H3
InChIKeyFZBOEXOHYQSQNM-UHFFFAOYSA-N
MW429.78 g/mol
LogP9.59
Rot. Bonds23

About N,N-dihexyl-12-phenyldodecan-1-amine

N,N-dihexyl-12-phenyldodecan-1-amine (PubChem CID 158185325) has the molecular formula C30H55N and a molecular weight of 429.78 g/mol. Its IUPAC name is N,N-dihexyl-12-phenyldodecan-1-amine.

Molecular Properties

Compound NameN,N-dihexyl-12-phenyldodecan-1-amine
PubChem CID158185325
Molecular FormulaC30H55N
Molecular Weight429.78 g/mol
Exact Mass429.43
IUPAC NameN,N-dihexyl-12-phenyldodecan-1-amine
SMILESCCCCCCN(CCCCCC)CCCCCCCCCCCCc1ccccc1
InChIInChI=1S/C30H55N/c1-3-5-7-21-27-31(28-22-8-6-4-2)29-23-16-14-12-10-9-11-13-15-18-24-30-25-19-17-20-26-30/h17,19-20,25-26H,3-16,18,21-24,27-29H2,1-2H3
InChIKeyFZBOEXOHYQSQNM-UHFFFAOYSA-N
XLogP9.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.78
LogP ≤ 59.59
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-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
15-phenyl-N,N-dipropylpentadecan-1-amine;hydrate
CID 173447970
6-phenyl-N,N-bis(6-phenylhexyl)hexan-1-amine
CID 21451220
octylbenzene
CID 16607
octacosylbenzene
CID 14228596
pentadecane;pentadecylbenzene
CID 174970881
octaoctacontylbenzene
CID 165359374
pentanonacontylbenzene
CID 165359347
acetylene;dodecylbenzene;ethane
CID 91021097
hexylbenzene;hydrogen peroxide
CID 90001206
CID 67791041
CID 67791041
dodecylbenzene;sulfane
CID 20560423

Frequently Asked Questions

What is the IUPAC name of N,N-dihexyl-12-phenyldodecan-1-amine?
The IUPAC name of N,N-dihexyl-12-phenyldodecan-1-amine (CID 158185325) is N,N-dihexyl-12-phenyldodecan-1-amine.
What is the SMILES notation for N,N-dihexyl-12-phenyldodecan-1-amine?
The canonical SMILES for N,N-dihexyl-12-phenyldodecan-1-amine is CCCCCCN(CCCCCC)CCCCCCCCCCCCc1ccccc1.
What is the InChIKey of N,N-dihexyl-12-phenyldodecan-1-amine?
The InChIKey is FZBOEXOHYQSQNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H55N/c1-3-5-7-21-27-31(28-22-8-6-4-2)29-23-16-14-12-10-9-11-13-15-18-24-30-25-19-17-20-26-30/h17,19-20,25-26H,3-16,18,21-24,27-29H2,1-2H3.
What are the key properties of N,N-dihexyl-12-phenyldodecan-1-amine?
N,N-dihexyl-12-phenyldodecan-1-amine has a molecular weight of 429.78 g/mol, XLogP of 9.59, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihexyl-12-phenyldodecan-1-amine is sourced from PubChem (CID 158185325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).