N-butyl-3-methylhexan-2-amine

C11H25N — CID 123937982

IUPACN-butyl-3-methylhexan-2-amine
SMILESCCCCNC(C)C(C)CCC
InChIInChI=1S/C11H25N/c1-5-7-9-12-11(4)10(3)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyWMJFJWRHWPHUOX-UHFFFAOYSA-N
MW171.33 g/mol
LogP3.20
Rot. Bonds7

About N-butyl-3-methylhexan-2-amine

N-butyl-3-methylhexan-2-amine (PubChem CID 123937982) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is N-butyl-3-methylhexan-2-amine.

Molecular Properties

Compound NameN-butyl-3-methylhexan-2-amine
PubChem CID123937982
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC NameN-butyl-3-methylhexan-2-amine
SMILESCCCCNC(C)C(C)CCC
InChIInChI=1S/C11H25N/c1-5-7-9-12-11(4)10(3)8-6-2/h10-12H,5-9H2,1-4H3
InChIKeyWMJFJWRHWPHUOX-UHFFFAOYSA-N
XLogP3.20
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2S,3R)-3-methyl-N-propylhexan-2-amine
CID 170123604
N-butyl-3-methylpentan-2-amine
CID 43200990
(2S,3R)-N-ethyl-3-methylhexan-2-amine
CID 51891368
3,7-dimethyl-N-propyloctan-2-amine
CID 83158474
N-[(2R,3R)-3-methylpentan-2-yl]hexan-1-amine
CID 29291947
(2R)-3-N-butylbutane-2,3-diamine
CID 148852356
N-pentan-2-ylheptan-1-amine
CID 43129169
N-butyl-3,4,5,6-tetramethylheptan-2-amine
CID 91139957
N-propan-2-ylbutan-1-amine chloride
CID 19629099
4,5-dimethylnonadecane
CID 123321090
N-(3-methylbutan-2-yl)heptan-1-amine
CID 43131205
4-methyl-N-propyldecan-5-amine
CID 115837654

Frequently Asked Questions

What is the IUPAC name of N-butyl-3-methylhexan-2-amine?
The IUPAC name of N-butyl-3-methylhexan-2-amine (CID 123937982) is N-butyl-3-methylhexan-2-amine.
What is the SMILES notation for N-butyl-3-methylhexan-2-amine?
The canonical SMILES for N-butyl-3-methylhexan-2-amine is CCCCNC(C)C(C)CCC.
What is the InChIKey of N-butyl-3-methylhexan-2-amine?
The InChIKey is WMJFJWRHWPHUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N/c1-5-7-9-12-11(4)10(3)8-6-2/h10-12H,5-9H2,1-4H3.
What are the key properties of N-butyl-3-methylhexan-2-amine?
N-butyl-3-methylhexan-2-amine has a molecular weight of 171.33 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-3-methylhexan-2-amine is sourced from PubChem (CID 123937982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).