N,N-diethylpentan-1-amine;1-phenylethanamine

C17H32N2 — CID 175350280

IUPACN,N-diethylpentan-1-amine;1-phenylethanamine
SMILESCC(N)c1ccccc1.CCCCCN(CC)CC
InChIInChI=1S/C9H21N.C8H11N/c1-4-7-8-9-10(5-2)6-3;1-7(9)8-5-3-2-4-6-8/h4-9H2,1-3H3;2-7H,9H2,1H3
InChIKeyWQULJZOONSTVMI-UHFFFAOYSA-N
MW264.46 g/mol
LogP4.22
Rot. Bonds7

About N,N-diethylpentan-1-amine;1-phenylethanamine

N,N-diethylpentan-1-amine;1-phenylethanamine (PubChem CID 175350280) has the molecular formula C17H32N2 and a molecular weight of 264.46 g/mol. Its IUPAC name is N,N-diethylpentan-1-amine;1-phenylethanamine.

Molecular Properties

Compound NameN,N-diethylpentan-1-amine;1-phenylethanamine
PubChem CID175350280
Molecular FormulaC17H32N2
Molecular Weight264.46 g/mol
Exact Mass264.26
IUPAC NameN,N-diethylpentan-1-amine;1-phenylethanamine
SMILESCC(N)c1ccccc1.CCCCCN(CC)CC
InChIInChI=1S/C9H21N.C8H11N/c1-4-7-8-9-10(5-2)6-3;1-7(9)8-5-3-2-4-6-8/h4-9H2,1-3H3;2-7H,9H2,1H3
InChIKeyWQULJZOONSTVMI-UHFFFAOYSA-N
XLogP4.22
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.46
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethyl-N'-heptyl-1-phenylbutane-1,4-diamine
CID 174264549
ethane;(1R)-1-phenylethanamine
CID 142977390
benzene;N,N-diethylpentan-1-amine;methanamine;molecular hydrogen
CID 145423595
N'-(2-amino-2-phenylethyl)-N,N,N'-triethylpropane-1,3-diamine
CID 102992514
4-[(1S)-1-aminoethyl]-N-butyl-N-phenylaniline
CID 78996712
N-ethyl-N-(2-phenylethyl)heptan-1-amine
CID 59678043
(2S)-1-N,1-N-dioctyl-3-phenylpropane-1,2-diamine
CID 102052520
azane;N-octadecyl-N-(1-phenylethyl)octadecan-1-amine;hydrochloride
CID 174860139
1-phenyl-1-N,1-N-dipropylpropane-1,2-diamine
CID 55017641
N-ethyl-2-phenyl-N-propylpropan-1-amine
CID 143014369
N'-[amino(phenyl)methyl]-N'-butylethane-1,2-diamine
CID 146614516
2-[[ethyl(pentyl)amino]methyl]aniline
CID 43459376

Frequently Asked Questions

What is the IUPAC name of N,N-diethylpentan-1-amine;1-phenylethanamine?
The IUPAC name of N,N-diethylpentan-1-amine;1-phenylethanamine (CID 175350280) is N,N-diethylpentan-1-amine;1-phenylethanamine.
What is the SMILES notation for N,N-diethylpentan-1-amine;1-phenylethanamine?
The canonical SMILES for N,N-diethylpentan-1-amine;1-phenylethanamine is CC(N)c1ccccc1.CCCCCN(CC)CC.
What is the InChIKey of N,N-diethylpentan-1-amine;1-phenylethanamine?
The InChIKey is WQULJZOONSTVMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N.C8H11N/c1-4-7-8-9-10(5-2)6-3;1-7(9)8-5-3-2-4-6-8/h4-9H2,1-3H3;2-7H,9H2,1H3.
What are the key properties of N,N-diethylpentan-1-amine;1-phenylethanamine?
N,N-diethylpentan-1-amine;1-phenylethanamine has a molecular weight of 264.46 g/mol, XLogP of 4.22, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethylpentan-1-amine;1-phenylethanamine is sourced from PubChem (CID 175350280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).