(4S)-4-methoxy-N-propan-2-ylheptan-1-amine

C11H25NO — CID 97035439

IUPAC(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
SMILESCCC[C@@H](CCCNC(C)C)OC
InChIInChI=1S/C11H25NO/c1-5-7-11(13-4)8-6-9-12-10(2)3/h10-12H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyAEMREHZGDJTTBV-NSHDSACASA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds8

About (4S)-4-methoxy-N-propan-2-ylheptan-1-amine

(4S)-4-methoxy-N-propan-2-ylheptan-1-amine (PubChem CID 97035439) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is (4S)-4-methoxy-N-propan-2-ylheptan-1-amine.

Molecular Properties

Compound Name(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
PubChem CID97035439
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name(4S)-4-methoxy-N-propan-2-ylheptan-1-amine
SMILESCCC[C@@H](CCCNC(C)C)OC
InChIInChI=1S/C11H25NO/c1-5-7-11(13-4)8-6-9-12-10(2)3/h10-12H,5-9H2,1-4H3/t11-/m0/s1
InChIKeyAEMREHZGDJTTBV-NSHDSACASA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.33
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S)-4-methoxy-N-propan-2-ylheptan-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

4-methoxy-N-propylheptan-1-amine
CID 102547572
(4R)-4-methoxy-N-(2-methoxyethyl)heptan-1-amine
CID 97035365
2-[[(4R)-4-methoxyheptyl]amino]ethanol
CID 97035434
N-propan-2-ylnonan-1-amine;hydrochloride
CID 172836169
N-propan-2-ylbutan-1-amine chloride
CID 19629099
(4S)-1-chloro-4-methoxyheptane
CID 97035520
1-chloro-4-methoxyheptane
CID 102547593
4-pentan-2-yloxy-N-propan-2-ylbutan-1-amine
CID 102986841
N-propan-2-ylicosan-1-amine
CID 87246132
N-butyl-1-methoxybutan-1-amine
CID 88850501
4-N-butyl-4-N-methyl-1-N-propan-2-ylpentane-1,4-diamine
CID 62424956
molecular hydrogen;N-propan-2-ylnonan-1-amine
CID 166461486

Frequently Asked Questions

What is the IUPAC name of (4S)-4-methoxy-N-propan-2-ylheptan-1-amine?
The IUPAC name of (4S)-4-methoxy-N-propan-2-ylheptan-1-amine (CID 97035439) is (4S)-4-methoxy-N-propan-2-ylheptan-1-amine.
What is the SMILES notation for (4S)-4-methoxy-N-propan-2-ylheptan-1-amine?
The canonical SMILES for (4S)-4-methoxy-N-propan-2-ylheptan-1-amine is CCC[C@@H](CCCNC(C)C)OC.
What is the InChIKey of (4S)-4-methoxy-N-propan-2-ylheptan-1-amine?
The InChIKey is AEMREHZGDJTTBV-NSHDSACASA-N. The full InChI is InChI=1S/C11H25NO/c1-5-7-11(13-4)8-6-9-12-10(2)3/h10-12H,5-9H2,1-4H3/t11-/m0/s1.
What are the key properties of (4S)-4-methoxy-N-propan-2-ylheptan-1-amine?
(4S)-4-methoxy-N-propan-2-ylheptan-1-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-methoxy-N-propan-2-ylheptan-1-amine is sourced from PubChem (CID 97035439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).