1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine

C16H34N2 — CID 64555313

IUPAC1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCCCCN(CC1(N)CCCC(C)C1)C(C)CC
InChIInChI=1S/C16H34N2/c1-5-7-11-18(15(4)6-2)13-16(17)10-8-9-14(3)12-16/h14-15H,5-13,17H2,1-4H3
InChIKeyDSJDPUBANBSCDT-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.79
Rot. Bonds7

About 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine

1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine (PubChem CID 64555313) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine
PubChem CID64555313
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine
SMILESCCCCN(CC1(N)CCCC(C)C1)C(C)CC
InChIInChI=1S/C16H34N2/c1-5-7-11-18(15(4)6-2)13-16(17)10-8-9-14(3)12-16/h14-15H,5-13,17H2,1-4H3
InChIKeyDSJDPUBANBSCDT-UHFFFAOYSA-N
XLogP3.79
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(1-amino-3-methylcyclohexyl)methyl]-N,N,N'-triethylpropane-1,3-diamine
CID 102994473
1-ethyl-3-methylcyclohexan-1-amine
CID 43809340
5-[[butan-2-yl(butyl)amino]methyl]-2,2-dimethylcyclopentan-1-amine
CID 79855868
1-(3-ethoxypropyl)-3-methylcyclohexan-1-amine
CID 65419842
3-methyl-1-(methylaminomethyl)cyclohexan-1-amine
CID 64552990
2-[[butan-2-yl(butyl)amino]methyl]cycloheptan-1-amine
CID 62611425
1-[(dibutylamino)methyl]cyclobutan-1-amine
CID 81168233
N-butan-2-yl-N-[[4-[(propan-2-ylamino)methyl]oxan-4-yl]methyl]butan-1-amine
CID 62391874
1-amino-3-methyl-N,N-dipentylcyclohexane-1-carboxamide
CID 64549829
1-[2-[butan-2-yl(ethyl)amino]ethyl]cyclobutan-1-amine
CID 79842033
2-(1-amino-3-methylcyclohexyl)acetamide
CID 165483573
3-methyl-1-(2-methylbutyl)cyclopentan-1-amine
CID 64515762

Frequently Asked Questions

What is the IUPAC name of 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine (CID 64555313) is 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine is CCCCN(CC1(N)CCCC(C)C1)C(C)CC.
What is the InChIKey of 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine?
The InChIKey is DSJDPUBANBSCDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-5-7-11-18(15(4)6-2)13-16(17)10-8-9-14(3)12-16/h14-15H,5-13,17H2,1-4H3.
What are the key properties of 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine?
1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine has a molecular weight of 254.46 g/mol, XLogP of 3.79, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[butan-2-yl(butyl)amino]methyl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64555313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).