N,2-diethyl-2-phenyldecan-1-amine

C20H35N — CID 63507626

IUPACN,2-diethyl-2-phenyldecan-1-amine
SMILESCCCCCCCCC(CC)(CNCC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-14-17-20(5-2,18-21-6-3)19-15-12-11-13-16-19/h11-13,15-16,21H,4-10,14,17-18H2,1-3H3
InChIKeyXDIQCKLKBJWQSB-UHFFFAOYSA-N
MW289.51 g/mol
LogP5.69
Rot. Bonds12

About N,2-diethyl-2-phenyldecan-1-amine

N,2-diethyl-2-phenyldecan-1-amine (PubChem CID 63507626) has the molecular formula C20H35N and a molecular weight of 289.51 g/mol. Its IUPAC name is N,2-diethyl-2-phenyldecan-1-amine.

Molecular Properties

Compound NameN,2-diethyl-2-phenyldecan-1-amine
PubChem CID63507626
Molecular FormulaC20H35N
Molecular Weight289.51 g/mol
Exact Mass289.28
IUPAC NameN,2-diethyl-2-phenyldecan-1-amine
SMILESCCCCCCCCC(CC)(CNCC)c1ccccc1
InChIInChI=1S/C20H35N/c1-4-7-8-9-10-14-17-20(5-2,18-21-6-3)19-15-12-11-13-16-19/h11-13,15-16,21H,4-10,14,17-18H2,1-3H3
InChIKeyXDIQCKLKBJWQSB-UHFFFAOYSA-N
XLogP5.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.51
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,2-diethyl-5-ethylsulfonyl-2-phenylpentan-1-amine
CID 65096866
5-butylhexadecan-5-ylbenzene
CID 173084700
2-ethyl-2-phenylnonan-1-ol
CID 66057887
2-ethyl-2-phenyldecan-1-ol
CID 66058928
3-(chloromethyl)undecan-3-ylbenzene
CID 66033821
N,2-diethyl-2-phenyl-4-(trifluoromethylsulfanyl)butan-1-amine
CID 116617750
1,3-bis(3-ethyldodecan-3-yl)benzene
CID 150177069
2-ethyl-2-phenyl-N-propylbutan-1-amine
CID 62596576
1,1-difluoroheptylbenzene
CID 12070547
15-phenylnonacosan-15-ylbenzene
CID 141310981
2-ethyl-N-(2-methoxyethyl)-2-phenylpentan-1-amine
CID 55107234
2-ethyl-4-methoxy-2-phenyl-N-propylbutan-1-amine
CID 62725061

Frequently Asked Questions

What is the IUPAC name of N,2-diethyl-2-phenyldecan-1-amine?
The IUPAC name of N,2-diethyl-2-phenyldecan-1-amine (CID 63507626) is N,2-diethyl-2-phenyldecan-1-amine.
What is the SMILES notation for N,2-diethyl-2-phenyldecan-1-amine?
The canonical SMILES for N,2-diethyl-2-phenyldecan-1-amine is CCCCCCCCC(CC)(CNCC)c1ccccc1.
What is the InChIKey of N,2-diethyl-2-phenyldecan-1-amine?
The InChIKey is XDIQCKLKBJWQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N/c1-4-7-8-9-10-14-17-20(5-2,18-21-6-3)19-15-12-11-13-16-19/h11-13,15-16,21H,4-10,14,17-18H2,1-3H3.
What are the key properties of N,2-diethyl-2-phenyldecan-1-amine?
N,2-diethyl-2-phenyldecan-1-amine has a molecular weight of 289.51 g/mol, XLogP of 5.69, 12 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-diethyl-2-phenyldecan-1-amine is sourced from PubChem (CID 63507626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).