5-phenyl-2-propan-2-yl-N-propylpentan-1-amine

C17H29N — CID 63522931

IUPAC5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
SMILESCCCNCC(CCCc1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-4-13-18-14-17(15(2)3)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyGMSVWIWGDXOEKS-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.28
Rot. Bonds9

About 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine

5-phenyl-2-propan-2-yl-N-propylpentan-1-amine (PubChem CID 63522931) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine.

Molecular Properties

Compound Name5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
PubChem CID63522931
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name5-phenyl-2-propan-2-yl-N-propylpentan-1-amine
SMILESCCCNCC(CCCc1ccccc1)C(C)C
InChIInChI=1S/C17H29N/c1-4-13-18-14-17(15(2)3)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3
InChIKeyGMSVWIWGDXOEKS-UHFFFAOYSA-N
XLogP4.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.28
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-methylpropyl)-5-phenyl-2-propan-2-ylpentan-1-amine
CID 63523122
2-propan-2-yl-N-propylheptan-1-amine
CID 63521498
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
2-methyl-N-(4-phenylbutyl)butan-1-amine
CID 115887248
2-chloro-N-(3-phenylpropyl)propan-1-amine
CID 65024000
6-phenyl-N-propylhexan-2-amine
CID 61485022
2,3,3-trimethyl-N-(4-phenylbutyl)butan-1-amine
CID 114333508
2-benzyl-3-phenyl-N-propylpropan-1-amine
CID 62530255
N-benzyl-2-methyl-5-phenylpentan-1-amine
CID 19048188
6-phenyl-2,3-dipropylhexanal
CID 10682794

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine?
The IUPAC name of 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine (CID 63522931) is 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine.
What is the SMILES notation for 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine?
The canonical SMILES for 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine is CCCNCC(CCCc1ccccc1)C(C)C.
What is the InChIKey of 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine?
The InChIKey is GMSVWIWGDXOEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-4-13-18-14-17(15(2)3)12-8-11-16-9-6-5-7-10-16/h5-7,9-10,15,17-18H,4,8,11-14H2,1-3H3.
What are the key properties of 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine?
5-phenyl-2-propan-2-yl-N-propylpentan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.28, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-propan-2-yl-N-propylpentan-1-amine is sourced from PubChem (CID 63522931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).