(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine

C27H46NP — CID 121461986

IUPAC(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine
SMILESCCCCC(CC(c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H46NP/c1-4-5-17-26(22-27(28(2)3)23-15-9-6-10-16-23)29(24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6,9-10,15-16,24-27H,4-5,7-8,11-14,17-22H2,1-3H3
InChIKeyHRNYPNITZYVSPV-UHFFFAOYSA-N
MW415.65 g/mol
LogP8.39
Rot. Bonds10

About (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine

(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine (PubChem CID 121461986) has the molecular formula C27H46NP and a molecular weight of 415.65 g/mol. Its IUPAC name is (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine.

Molecular Properties

Compound Name(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine
PubChem CID121461986
Molecular FormulaC27H46NP
Molecular Weight415.65 g/mol
Exact Mass415.34
IUPAC Name(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine
SMILESCCCCC(CC(c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1
InChIInChI=1S/C27H46NP/c1-4-5-17-26(22-27(28(2)3)23-15-9-6-10-16-23)29(24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6,9-10,15-16,24-27H,4-5,7-8,11-14,17-22H2,1-3H3
InChIKeyHRNYPNITZYVSPV-UHFFFAOYSA-N
XLogP8.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.65
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dimethyl-1,3-diphenylheptan-1-amine
CID 165348529
N,N-dimethyl-1-phenylheptan-1-amine
CID 67220027
N,N-dimethyl-1-phenylheptadecan-1-amine;hydrobromide
CID 173082134
N,N-dimethyl-1-phenylnonan-1-amine;hydrochloride
CID 173276058
N-(1-phenylpentyl)cycloheptanamine
CID 43767069
CID 166445594
CID 166445594
N-benzhydryl-N-[butoxy(pentoxy)phosphanyl]cyclohexanamine
CID 123211642
1-cyclobutylpentylbenzene
CID 90897767
N-(2-cyclohexylethyl)-1-phenylhexan-1-amine
CID 63450485
N-methyl-N-[(1R)-1-phenylethyl]cyclohexanamine
CID 68742462
dicyclohexyl-methyl-[1-(1-phenylethylamino)undecyl]phosphanium
CID 22750561
(1R)-1-cyclohexyl-N-[(1R)-1-phenylbutoxy]pentan-1-amine
CID 10710619

Frequently Asked Questions

What is the IUPAC name of (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine?
The IUPAC name of (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine (CID 121461986) is (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine.
What is the SMILES notation for (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine?
The canonical SMILES for (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine is CCCCC(CC(c1ccccc1)N(C)C)P(C1CCCCC1)C1CCCCC1.
What is the InChIKey of (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine?
The InChIKey is HRNYPNITZYVSPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46NP/c1-4-5-17-26(22-27(28(2)3)23-15-9-6-10-16-23)29(24-18-11-7-12-19-24)25-20-13-8-14-21-25/h6,9-10,15-16,24-27H,4-5,7-8,11-14,17-22H2,1-3H3.
What are the key properties of (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine?
(3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine has a molecular weight of 415.65 g/mol, XLogP of 8.39, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-dicyclohexylphosphanyl-N,N-dimethyl-1-phenylheptan-1-amine is sourced from PubChem (CID 121461986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).