N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine

C12H26N2 — CID 115438135

IUPACN-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCC(C)NCC1(CN)CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)14-10-12(9-13)7-5-4-6-8-12/h11,14H,3-10,13H2,1-2H3
InChIKeyYWAOFIXTGPEKQE-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.28
Rot. Bonds5

About N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine

N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine (PubChem CID 115438135) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine.

Molecular Properties

Compound NameN-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
PubChem CID115438135
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC NameN-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
SMILESCCC(C)NCC1(CN)CCCCC1
InChIInChI=1S/C12H26N2/c1-3-11(2)14-10-12(9-13)7-5-4-6-8-12/h11,14H,3-10,13H2,1-2H3
InChIKeyYWAOFIXTGPEKQE-UHFFFAOYSA-N
XLogP2.28
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[1-(aminomethyl)cycloheptyl]methyl]-2-methylpropan-1-amine
CID 115444997
2-[1-[(butan-2-ylamino)methyl]cyclopropyl]ethanol
CID 114750802
(1-ethylcyclooctyl)methanamine
CID 80604065
[1-[[[1-(2-methylpropyl)cyclopentyl]methylamino]methyl]cyclobutyl]methanamine
CID 113311851
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[(3-ethylpyrrolidin-3-yl)methyl]butan-2-amine
CID 63143274
N-[2-[1-(aminomethyl)cyclohexyl]ethyl]heptan-2-amine
CID 104678802
1-[1-(aminomethyl)cyclohexyl]-4-methylhexan-2-one
CID 116614308
N-[(1-propan-2-ylcyclopropyl)methyl]butan-2-amine
CID 103903233
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
CID 106827234
1-[1-[[1-(aminomethyl)cyclopentyl]methyl]piperidin-4-yl]ethanol
CID 106837787
[1-[(3-ethylpentan-2-ylamino)methyl]cyclohexyl]methanol
CID 81419360

Frequently Asked Questions

What is the IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine?
The IUPAC name of N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine (CID 115438135) is N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine.
What is the SMILES notation for N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine?
The canonical SMILES for N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine is CCC(C)NCC1(CN)CCCCC1.
What is the InChIKey of N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine?
The InChIKey is YWAOFIXTGPEKQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-3-11(2)14-10-12(9-13)7-5-4-6-8-12/h11,14H,3-10,13H2,1-2H3.
What are the key properties of N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine?
N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine has a molecular weight of 198.35 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine is sourced from PubChem (CID 115438135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).