N-butyl-2-methoxypentan-3-amine

C10H23NO — CID 123969283

IUPACN-butyl-2-methoxypentan-3-amine
SMILESCCCCNC(CC)C(C)OC
InChIInChI=1S/C10H23NO/c1-5-7-8-11-10(6-2)9(3)12-4/h9-11H,5-8H2,1-4H3
InChIKeySLNOFJCXLGHEJU-UHFFFAOYSA-N
MW173.30 g/mol
LogP2.19
Rot. Bonds7

About N-butyl-2-methoxypentan-3-amine

N-butyl-2-methoxypentan-3-amine (PubChem CID 123969283) has the molecular formula C10H23NO and a molecular weight of 173.30 g/mol. Its IUPAC name is N-butyl-2-methoxypentan-3-amine.

Molecular Properties

Compound NameN-butyl-2-methoxypentan-3-amine
PubChem CID123969283
Molecular FormulaC10H23NO
Molecular Weight173.30 g/mol
Exact Mass173.18
IUPAC NameN-butyl-2-methoxypentan-3-amine
SMILESCCCCNC(CC)C(C)OC
InChIInChI=1S/C10H23NO/c1-5-7-8-11-10(6-2)9(3)12-4/h9-11H,5-8H2,1-4H3
InChIKeySLNOFJCXLGHEJU-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
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-butyl-2-methoxypentan-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-(3-methoxybutan-2-yl)pentan-1-amine
CID 115705771
N-[(3R)-2-methylpentan-3-yl]hexan-1-amine
CID 162530079
N-butyl-3-methylpentan-2-amine
CID 43200990
3-methoxy-1-propan-2-yloxy-N-propylbutan-2-amine
CID 79617443
N-(3-butoxypropyl)-2-methylpentan-3-amine
CID 115704440
N-butyl-1-methoxybutan-1-amine
CID 88850501
N-propan-2-ylbutan-1-amine chloride
CID 19629099
N,N'-bis(1-butoxy-3-methylbutan-2-yl)butane-1,4-diamine
CID 89076193
N-(1-methoxy-3-methylbutan-2-yl)nonan-1-amine
CID 65049550
N-(2-butoxyethyl)-3-methoxybutan-2-amine
CID 115714563
(1S)-1-(butylamino)propan-1-ol
CID 153016894
(4S)-4-ethyl-N-pentylnonan-3-amine
CID 89384517

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-methoxypentan-3-amine?
The IUPAC name of N-butyl-2-methoxypentan-3-amine (CID 123969283) is N-butyl-2-methoxypentan-3-amine.
What is the SMILES notation for N-butyl-2-methoxypentan-3-amine?
The canonical SMILES for N-butyl-2-methoxypentan-3-amine is CCCCNC(CC)C(C)OC.
What is the InChIKey of N-butyl-2-methoxypentan-3-amine?
The InChIKey is SLNOFJCXLGHEJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO/c1-5-7-8-11-10(6-2)9(3)12-4/h9-11H,5-8H2,1-4H3.
What are the key properties of N-butyl-2-methoxypentan-3-amine?
N-butyl-2-methoxypentan-3-amine has a molecular weight of 173.30 g/mol, XLogP of 2.19, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-methoxypentan-3-amine is sourced from PubChem (CID 123969283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).