N-(3-methoxypropyl)pentan-3-amine

C9H21NO — CID 28673591

IUPACN-(3-methoxypropyl)pentan-3-amine
SMILESCCC(CC)NCCCOC
InChIInChI=1S/C9H21NO/c1-4-9(5-2)10-7-6-8-11-3/h9-10H,4-8H2,1-3H3
InChIKeyGBABWOAJCLLSLD-UHFFFAOYSA-N
MW159.27 g/mol
LogP1.80
Rot. Bonds7

About N-(3-methoxypropyl)pentan-3-amine

N-(3-methoxypropyl)pentan-3-amine (PubChem CID 28673591) has the molecular formula C9H21NO and a molecular weight of 159.27 g/mol. Its IUPAC name is N-(3-methoxypropyl)pentan-3-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)pentan-3-amine
PubChem CID28673591
Molecular FormulaC9H21NO
Molecular Weight159.27 g/mol
Exact Mass159.16
IUPAC NameN-(3-methoxypropyl)pentan-3-amine
SMILESCCC(CC)NCCCOC
InChIInChI=1S/C9H21NO/c1-4-9(5-2)10-7-6-8-11-3/h9-10H,4-8H2,1-3H3
InChIKeyGBABWOAJCLLSLD-UHFFFAOYSA-N
XLogP1.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(3-methoxypropyl)pentan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(Propan-2-yl)oxan-4-amine
CID 21709941
3-Methoxy-N-(3-methoxypropyl)-1-propanamine
CID 18320509
(2-Methoxyethyl)(pentan-3-yl)amine
CID 28426026
N-(3-Methoxypropyl)cyclohexanamine
CID 28674201
N-Propyltetrahydro-2H-pyran-4-amine
CID 18348908
3-Ethoxy-n-ethylpropan-1-amine
CID 254952
N-(3-methoxypropyl)cyclohexanamine hydrochloride
CID 138987566
N-(3-Methoxypropyl)pentan-1-amine
CID 14806244
N-propan-2-yl-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 61491037
N-(3-methoxypropyl)cycloheptanamine
CID 28673224
N-[3-(2,2,2-trifluoroethoxy)propyl]butan-2-amine
CID 61491117
N-[3-(2,2,2-trifluoroethoxy)propyl]pentan-3-amine
CID 61491155

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)pentan-3-amine?
The IUPAC name of N-(3-methoxypropyl)pentan-3-amine (CID 28673591) is N-(3-methoxypropyl)pentan-3-amine.
What is the SMILES notation for N-(3-methoxypropyl)pentan-3-amine?
The canonical SMILES for N-(3-methoxypropyl)pentan-3-amine is CCC(CC)NCCCOC.
What is the InChIKey of N-(3-methoxypropyl)pentan-3-amine?
The InChIKey is GBABWOAJCLLSLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO/c1-4-9(5-2)10-7-6-8-11-3/h9-10H,4-8H2,1-3H3.
What are the key properties of N-(3-methoxypropyl)pentan-3-amine?
N-(3-methoxypropyl)pentan-3-amine has a molecular weight of 159.27 g/mol, XLogP of 1.80, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)pentan-3-amine is sourced from PubChem (CID 28673591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).