butan-1-ol;2-butyl-N-methylcycloheptan-1-amine

C16H35NO — CID 71071246

IUPACbutan-1-ol;2-butyl-N-methylcycloheptan-1-amine
SMILESCCCCC1CCCCCC1NC.CCCCO
InChIInChI=1S/C12H25N.C4H10O/c1-3-4-8-11-9-6-5-7-10-12(11)13-2;1-2-3-4-5/h11-13H,3-10H2,1-2H3;5H,2-4H2,1H3
InChIKeyHAWWDMZINBIRBQ-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.12
Rot. Bonds6

About butan-1-ol;2-butyl-N-methylcycloheptan-1-amine

butan-1-ol;2-butyl-N-methylcycloheptan-1-amine (PubChem CID 71071246) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is butan-1-ol;2-butyl-N-methylcycloheptan-1-amine.

Molecular Properties

Compound Namebutan-1-ol;2-butyl-N-methylcycloheptan-1-amine
PubChem CID71071246
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Namebutan-1-ol;2-butyl-N-methylcycloheptan-1-amine
SMILESCCCCC1CCCCCC1NC.CCCCO
InChIInChI=1S/C12H25N.C4H10O/c1-3-4-8-11-9-6-5-7-10-12(11)13-2;1-2-3-4-5/h11-13H,3-10H2,1-2H3;5H,2-4H2,1H3
InChIKeyHAWWDMZINBIRBQ-UHFFFAOYSA-N
XLogP4.12
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-N-methylcyclohexan-1-amine;propan-1-ol
CID 71071796
butan-1-ol;2-butyl-N-methylcyclobutan-1-amine
CID 71071171
N-methyl-2-octylcyclohexan-1-amine
CID 63400173
2-ethyl-N-methylcycloheptan-1-amine;propan-1-ol
CID 71071435
2-butyl-N-methylcyclopropan-1-amine;propan-1-ol
CID 89249229
N-methyl-2-(4-methylpentyl)cyclohexan-1-amine
CID 83159039
3-[(2-hexylcyclopentyl)amino]propan-1-ol
CID 115705219
2-(4-methoxybutyl)-N-methylcyclohexan-1-amine
CID 104648337
bis(butan-1-ol);cyclobutane
CID 140562216
(2-butylcyclopentyl)carbamic acid
CID 142463044
[(1S)-2-(methylamino)cyclopentyl]methanol
CID 123545278
N,N'-bis(2-hexylcyclohexyl)methanediamine
CID 175881846

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;2-butyl-N-methylcycloheptan-1-amine?
The IUPAC name of butan-1-ol;2-butyl-N-methylcycloheptan-1-amine (CID 71071246) is butan-1-ol;2-butyl-N-methylcycloheptan-1-amine.
What is the SMILES notation for butan-1-ol;2-butyl-N-methylcycloheptan-1-amine?
The canonical SMILES for butan-1-ol;2-butyl-N-methylcycloheptan-1-amine is CCCCC1CCCCCC1NC.CCCCO.
What is the InChIKey of butan-1-ol;2-butyl-N-methylcycloheptan-1-amine?
The InChIKey is HAWWDMZINBIRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N.C4H10O/c1-3-4-8-11-9-6-5-7-10-12(11)13-2;1-2-3-4-5/h11-13H,3-10H2,1-2H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;2-butyl-N-methylcycloheptan-1-amine?
butan-1-ol;2-butyl-N-methylcycloheptan-1-amine has a molecular weight of 257.46 g/mol, XLogP of 4.12, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;2-butyl-N-methylcycloheptan-1-amine is sourced from PubChem (CID 71071246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).