(1S)-2-(methylaminomethyl)cyclohexan-1-amine

C8H18N2 — CID 129138174

IUPAC(1S)-2-(methylaminomethyl)cyclohexan-1-amine
SMILESCNCC1CCCC[C@@H]1N
InChIInChI=1S/C8H18N2/c1-10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6,9H2,1H3/t7?,8-/m0/s1
InChIKeyYSIIKFWNOHVZCU-MQWKRIRWSA-N
MW142.25 g/mol
LogP0.72
Rot. Bonds2

About (1S)-2-(methylaminomethyl)cyclohexan-1-amine

(1S)-2-(methylaminomethyl)cyclohexan-1-amine (PubChem CID 129138174) has the molecular formula C8H18N2 and a molecular weight of 142.25 g/mol. Its IUPAC name is (1S)-2-(methylaminomethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name(1S)-2-(methylaminomethyl)cyclohexan-1-amine
PubChem CID129138174
Molecular FormulaC8H18N2
Molecular Weight142.25 g/mol
Exact Mass142.15
IUPAC Name(1S)-2-(methylaminomethyl)cyclohexan-1-amine
SMILESCNCC1CCCC[C@@H]1N
InChIInChI=1S/C8H18N2/c1-10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6,9H2,1H3/t7?,8-/m0/s1
InChIKeyYSIIKFWNOHVZCU-MQWKRIRWSA-N
XLogP0.72
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.25
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

trans-(1S,2S)-2-[(cyclopropylamino)methyl]cyclohexan-1-amine
CID 66594618
1-[2-(methoxymethyl)cycloheptyl]-N-methylmethanamine
CID 81025446
2-[(cyclopentylamino)methyl]cyclopentan-1-amine
CID 64853218
2-(butylaminomethyl)cyclohexan-1-amine
CID 64850484
1-[(2R)-2-methoxycyclohexyl]-N-methylmethanamine
CID 142251014
1-(2-cyclohexylcycloheptyl)-N-methylmethanamine
CID 81025955
1-(2-cyclohexylcyclopentyl)-N-methylmethanamine
CID 81033950
1-[2-(cyclohexylmethyl)cyclopentyl]-N-methylmethanamine
CID 81033803
cis-(1S,2R)-2-(methylaminomethyl)cyclopentan-1-ol
CID 13133890
1-[(2-aminocyclohexyl)methyl]-3-ethylurea
CID 64927851
(2S)-2-(methoxymethyl)cyclohexan-1-amine
CID 89098977
N-[(2-aminocyclohexyl)methyl]-4-methylcycloheptan-1-amine
CID 114100509

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(methylaminomethyl)cyclohexan-1-amine?
The IUPAC name of (1S)-2-(methylaminomethyl)cyclohexan-1-amine (CID 129138174) is (1S)-2-(methylaminomethyl)cyclohexan-1-amine.
What is the SMILES notation for (1S)-2-(methylaminomethyl)cyclohexan-1-amine?
The canonical SMILES for (1S)-2-(methylaminomethyl)cyclohexan-1-amine is CNCC1CCCC[C@@H]1N.
What is the InChIKey of (1S)-2-(methylaminomethyl)cyclohexan-1-amine?
The InChIKey is YSIIKFWNOHVZCU-MQWKRIRWSA-N. The full InChI is InChI=1S/C8H18N2/c1-10-6-7-4-2-3-5-8(7)9/h7-8,10H,2-6,9H2,1H3/t7?,8-/m0/s1.
What are the key properties of (1S)-2-(methylaminomethyl)cyclohexan-1-amine?
(1S)-2-(methylaminomethyl)cyclohexan-1-amine has a molecular weight of 142.25 g/mol, XLogP of 0.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(methylaminomethyl)cyclohexan-1-amine is sourced from PubChem (CID 129138174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).