2,2-dimethyl-5-phenyl-N-propylpentan-1-amine

C16H27N — CID 55107021

IUPAC2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(C)CCCc1ccccc1
InChIInChI=1S/C16H27N/c1-4-13-17-14-16(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3
InChIKeyLKMIXFFBOAMGCP-UHFFFAOYSA-N
MW233.40 g/mol
LogP4.04
Rot. Bonds8

About 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine

2,2-dimethyl-5-phenyl-N-propylpentan-1-amine (PubChem CID 55107021) has the molecular formula C16H27N and a molecular weight of 233.40 g/mol. Its IUPAC name is 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
PubChem CID55107021
Molecular FormulaC16H27N
Molecular Weight233.40 g/mol
Exact Mass233.21
IUPAC Name2,2-dimethyl-5-phenyl-N-propylpentan-1-amine
SMILESCCCNCC(C)(C)CCCc1ccccc1
InChIInChI=1S/C16H27N/c1-4-13-17-14-16(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3
InChIKeyLKMIXFFBOAMGCP-UHFFFAOYSA-N
XLogP4.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.40
LogP ≤ 54.04
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

2,2-diethyl-5-phenyl-N-propylpentan-1-amine
CID 63509322
3-phenyl-N-propylpropan-1-amine;hydrochloride
CID 75357720
N'-(4-phenylbutyl)-N-propylethane-1,2-diamine
CID 113405226
5-phenyl-N-propylpentan-1-amine
CID 62530615
4-methyl-1-phenylheptan-4-ol
CID 67874665
(5-chloro-4,4-dimethylpentyl)benzene
CID 66059754
2,2-dimethyl-N-propyltetradecan-1-amine
CID 63521984
2,2-dimethyl-N-propyloctan-1-amine
CID 63522518
2-methyl-2-(2-phenylethoxy)-N-propylbutan-1-amine
CID 115003008
3-[(2,2-dimethyl-5-phenylpentyl)carbamoylamino]propanoic acid
CID 122002181
3,3-dimethyltetradecylbenzene
CID 141108755
3-(3-phenylpropoxy)-N-propylpropan-1-amine
CID 62485607

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine (CID 55107021) is 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine is CCCNCC(C)(C)CCCc1ccccc1.
What is the InChIKey of 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine?
The InChIKey is LKMIXFFBOAMGCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N/c1-4-13-17-14-16(2,3)12-8-11-15-9-6-5-7-10-15/h5-7,9-10,17H,4,8,11-14H2,1-3H3.
What are the key properties of 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine?
2,2-dimethyl-5-phenyl-N-propylpentan-1-amine has a molecular weight of 233.40 g/mol, XLogP of 4.04, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-phenyl-N-propylpentan-1-amine is sourced from PubChem (CID 55107021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).