N-(2-propoxypropyl)butan-1-amine

C10H23NO — CID 62583755

IUPACN-(2-propoxypropyl)butan-1-amine
SMILESCCCCNCC(C)OCCC
InChIInChI=1S/C10H23NO/c1-4-6-7-11-9-10(3)12-8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXRTDAIMMLYZMEQ-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds8

About N-(2-propoxypropyl)butan-1-amine

N-(2-propoxypropyl)butan-1-amine (PubChem CID 62583755) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-(2-propoxypropyl)butan-1-amine.

Molecular Properties

Compound NameN-(2-propoxypropyl)butan-1-amine
PubChem CID62583755
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-(2-propoxypropyl)butan-1-amine
SMILESCCCCNCC(C)OCCC
InChIInChI=1S/C10H23NO/c1-4-6-7-11-9-10(3)12-8-5-2/h10-11H,4-9H2,1-3H3
InChIKeyXRTDAIMMLYZMEQ-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.30
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-propoxypropyl)butan-1-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-(2-hexoxypropyl)butan-1-amine
CID 62599346
N-[2-[2-(2-methylpropoxy)ethoxy]propyl]butan-1-amine
CID 106450242
N-[2-(2-ethoxyethoxy)propyl]pentan-1-amine
CID 62565008
N-[2-(3-methoxy-3-methylbutoxy)propyl]butan-1-amine
CID 106668220
N-[2-(2,2-difluoroethoxy)propyl]butan-1-amine
CID 82009434
2-heptoxy-N-(3-methoxypropyl)propan-1-amine
CID 62597976
N-[2-(2,2,2-trifluoroethoxy)propyl]butan-1-amine
CID 62567250
N-[2-(3,3,3-trifluoropropoxy)propyl]pentan-1-amine
CID 82959356
2-butoxy-N-ethylpropan-1-amine
CID 62449884
N-(2-prop-2-enoxypropyl)pentan-1-amine
CID 62571759
N-[2-(cyclohexylmethoxy)propyl]butan-1-amine
CID 62585334
N-(2-phenylmethoxypropyl)butan-1-amine
CID 62566134

Frequently Asked Questions

What is the IUPAC name of N-(2-propoxypropyl)butan-1-amine?
The IUPAC name of N-(2-propoxypropyl)butan-1-amine (CID 62583755) is N-(2-propoxypropyl)butan-1-amine.
What is the SMILES notation for N-(2-propoxypropyl)butan-1-amine?
The canonical SMILES for N-(2-propoxypropyl)butan-1-amine is CCCCNCC(C)OCCC.
What is the InChIKey of N-(2-propoxypropyl)butan-1-amine?
The InChIKey is XRTDAIMMLYZMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-4-6-7-11-9-10(3)12-8-5-2/h10-11H,4-9H2,1-3H3.
What are the key properties of N-(2-propoxypropyl)butan-1-amine?
N-(2-propoxypropyl)butan-1-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propoxypropyl)butan-1-amine is sourced from PubChem (CID 62583755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).