6-butoxy-N-methylhexan-3-amine

C11H25NO — CID 61483969

IUPAC6-butoxy-N-methylhexan-3-amine
SMILESCCCCOCCCC(CC)NC
InChIInChI=1S/C11H25NO/c1-4-6-9-13-10-7-8-11(5-2)12-3/h11-12H,4-10H2,1-3H3
InChIKeySOWDBZXKHOCNMQ-UHFFFAOYSA-N
MW187.33 g/mol
LogP2.58
Rot. Bonds9

About 6-butoxy-N-methylhexan-3-amine

6-butoxy-N-methylhexan-3-amine (PubChem CID 61483969) has the molecular formula C11H25NO and a molecular weight of 187.33 g/mol. Its IUPAC name is 6-butoxy-N-methylhexan-3-amine.

Molecular Properties

Compound Name6-butoxy-N-methylhexan-3-amine
PubChem CID61483969
Molecular FormulaC11H25NO
Molecular Weight187.33 g/mol
Exact Mass187.19
IUPAC Name6-butoxy-N-methylhexan-3-amine
SMILESCCCCOCCCC(CC)NC
InChIInChI=1S/C11H25NO/c1-4-6-9-13-10-7-8-11(5-2)12-3/h11-12H,4-10H2,1-3H3
InChIKeySOWDBZXKHOCNMQ-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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 6-butoxy-N-methylhexan-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-methyl-6-octoxyhexan-3-amine
CID 106800853
N-methyloctadecan-3-amine
CID 150460863
N-methyldecan-3-amine
CID 60996977
N-ethyl-6-pentoxyhexan-3-amine
CID 106800895
1-methoxy-N-methyl-5-propoxypentan-2-amine
CID 106454502
1-butoxy-5-methoxy-N-methylpentan-3-amine
CID 114998768
N,6-dimethyl-1-propoxyheptan-4-amine
CID 106454537
4-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-2-(methylamino)butan-1-ol
CID 104567852
carbanide;N-methyltridecan-3-amine;vanadium
CID 170975865
1-butoxybutane;N-methylmethanamine
CID 88830911
N-(2-butoxyethyl)pentan-3-amine
CID 61168899
6-[2-(2-butoxyethoxy)ethoxy]-N,2-dimethylhexan-3-amine
CID 104564547

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-N-methylhexan-3-amine?
The IUPAC name of 6-butoxy-N-methylhexan-3-amine (CID 61483969) is 6-butoxy-N-methylhexan-3-amine.
What is the SMILES notation for 6-butoxy-N-methylhexan-3-amine?
The canonical SMILES for 6-butoxy-N-methylhexan-3-amine is CCCCOCCCC(CC)NC.
What is the InChIKey of 6-butoxy-N-methylhexan-3-amine?
The InChIKey is SOWDBZXKHOCNMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO/c1-4-6-9-13-10-7-8-11(5-2)12-3/h11-12H,4-10H2,1-3H3.
What are the key properties of 6-butoxy-N-methylhexan-3-amine?
6-butoxy-N-methylhexan-3-amine has a molecular weight of 187.33 g/mol, XLogP of 2.58, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-N-methylhexan-3-amine is sourced from PubChem (CID 61483969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).