N-ethyl-N-(2-phenylethyl)heptan-1-amine

C17H29N — CID 59678043

IUPACN-ethyl-N-(2-phenylethyl)heptan-1-amine
SMILESCCCCCCCN(CC)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-11-15-18(4-2)16-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3
InChIKeyMDFOJOPSIQRYJX-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.52
Rot. Bonds10

About N-ethyl-N-(2-phenylethyl)heptan-1-amine

N-ethyl-N-(2-phenylethyl)heptan-1-amine (PubChem CID 59678043) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is N-ethyl-N-(2-phenylethyl)heptan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(2-phenylethyl)heptan-1-amine
PubChem CID59678043
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC NameN-ethyl-N-(2-phenylethyl)heptan-1-amine
SMILESCCCCCCCN(CC)CCc1ccccc1
InChIInChI=1S/C17H29N/c1-3-5-6-7-11-15-18(4-2)16-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3
InChIKeyMDFOJOPSIQRYJX-UHFFFAOYSA-N
XLogP4.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N,N-dihexyl-12-phenyldodecan-1-amine
CID 158185325
N-octyl-N-(5-phenylpentyl)octan-1-amine
CID 175488392
2-[octyl(2-phenylethyl)amino]acetonitrile
CID 4554357
N,N-diethyl-17-phenylheptadecan-1-amine;hydrochloride
CID 173450606
N,N-diethyl-12-phenyldodecan-1-amine;hydrate
CID 173447962
N,N-diethyl-12-phenyldodecan-1-amine;hydrochloride
CID 173450518
N,N-dibenzyldodecan-1-amine
CID 11508874
N-oxido-N-(2-phenylethyl)icosan-1-amine
CID 122612786
N-oxido-N-(2-phenylethyl)decan-1-amine
CID 122612017
N,N-dibenzylnonan-1-amine;hydrochloride
CID 173190892
2-[ethyl(4-phenylbutyl)amino]ethanol
CID 114334503
N,N-diethyl-3-phenylpropan-1-amine;hydrate
CID 172794416

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(2-phenylethyl)heptan-1-amine?
The IUPAC name of N-ethyl-N-(2-phenylethyl)heptan-1-amine (CID 59678043) is N-ethyl-N-(2-phenylethyl)heptan-1-amine.
What is the SMILES notation for N-ethyl-N-(2-phenylethyl)heptan-1-amine?
The canonical SMILES for N-ethyl-N-(2-phenylethyl)heptan-1-amine is CCCCCCCN(CC)CCc1ccccc1.
What is the InChIKey of N-ethyl-N-(2-phenylethyl)heptan-1-amine?
The InChIKey is MDFOJOPSIQRYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-3-5-6-7-11-15-18(4-2)16-14-17-12-9-8-10-13-17/h8-10,12-13H,3-7,11,14-16H2,1-2H3.
What are the key properties of N-ethyl-N-(2-phenylethyl)heptan-1-amine?
N-ethyl-N-(2-phenylethyl)heptan-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.52, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(2-phenylethyl)heptan-1-amine is sourced from PubChem (CID 59678043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).