N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine

C17H29N — CID 43398775

IUPACN-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-5-6-7-8-15(4)18-13-16-9-11-17(12-10-16)14(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyLPZWTOMXTYELCF-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.87
Rot. Bonds8

About N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine

N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine (PubChem CID 43398775) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine.

Molecular Properties

Compound NameN-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
PubChem CID43398775
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-[(4-propan-2-ylphenyl)methyl]heptan-2-amine
SMILESCCCCCC(C)NCc1ccc(C(C)C)cc1
InChIInChI=1S/C17H29N/c1-5-6-7-8-15(4)18-13-16-9-11-17(12-10-16)14(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3
InChIKeyLPZWTOMXTYELCF-UHFFFAOYSA-N
XLogP4.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.87
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

4-[(heptan-2-ylamino)methyl]aniline
CID 61465619
(2R)-N-benzylheptan-2-amine
CID 14923313
N-[(4-propan-2-ylphenyl)methyl]butan-2-amine
CID 4723370
N-benzylnonadecan-2-amine;hydrochloride
CID 173191574
N,N-diethyl-4-[(heptan-2-ylamino)methyl]aniline
CID 43398761
N-[(4-ethoxyphenyl)methyl]octan-2-amine
CID 43220759
N-[4-[(heptan-2-ylamino)methyl]phenyl]acetamide
CID 43399864
2-(octan-2-ylamino)-1-(4-propan-2-ylphenyl)ethanol
CID 63491374
N-[(4-methoxyphenyl)methyl]hexan-2-amine
CID 43760039
N-methyl-4-[(nonan-2-ylamino)methyl]benzamide
CID 43129912
N-[(4-propan-2-ylphenyl)methyl]pentan-1-amine;hydrochloride
CID 17331857
N-[(4-ethoxyphenyl)methyl]hexan-2-amine
CID 62197866

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine?
The IUPAC name of N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine (CID 43398775) is N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine.
What is the SMILES notation for N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine?
The canonical SMILES for N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine is CCCCCC(C)NCc1ccc(C(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine?
The InChIKey is LPZWTOMXTYELCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-5-6-7-8-15(4)18-13-16-9-11-17(12-10-16)14(2)3/h9-12,14-15,18H,5-8,13H2,1-4H3.
What are the key properties of N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine?
N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine has a molecular weight of 247.43 g/mol, XLogP of 4.87, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-ylphenyl)methyl]heptan-2-amine is sourced from PubChem (CID 43398775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).