trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine

C9H20N2 — CID 95363630

IUPACtrans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C[C@H]1CCC[C@H](N)C1
InChIInChI=1S/C9H20N2/c1-11(2)7-8-4-3-5-9(10)6-8/h8-9H,3-7,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyOQXRMACHJKFJMN-IUCAKERBSA-N
MW156.27 g/mol
LogP1.07
Rot. Bonds2

About trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine

trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine (PubChem CID 95363630) has the molecular formula C9H20N2 and a molecular weight of 156.27 g/mol. Its IUPAC name is trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Nametrans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
PubChem CID95363630
Molecular FormulaC9H20N2
Molecular Weight156.27 g/mol
Exact Mass156.16
IUPAC Nametrans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine
SMILESCN(C)C[C@H]1CCC[C@H](N)C1
InChIInChI=1S/C9H20N2/c1-11(2)7-8-4-3-5-9(10)6-8/h8-9H,3-7,10H2,1-2H3/t8-,9-/m0/s1
InChIKeyOQXRMACHJKFJMN-IUCAKERBSA-N
XLogP1.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.27
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-N,N-dimethylmethanamine
CID 4285302
3-(diethylaminomethyl)cyclohexan-1-amine
CID 63045933
N'-[(3-aminocyclohexyl)methyl]-N,N-dimethyl-N'-(2-methylpropyl)ethane-1,2-diamine
CID 63045256
3-[[methyl-[(1-methylpiperidin-4-yl)methyl]amino]methyl]cyclohexan-1-amine
CID 63234589
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
1-[3-[(dimethylamino)methyl]cyclohexyl]-N-methylmethanamine
CID 19029842
3-[[cyclopropyl(cyclopropylmethyl)amino]methyl]cyclohexan-1-amine
CID 64522365
1-cycloheptyl-N,N-dimethylmethanamine
CID 58845214
3-[[(1-ethylpyrrolidin-2-yl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 79319830
3-[[methyl(oxolan-2-ylmethyl)amino]methyl]cyclohexan-1-amine
CID 63044910
3-[[methyl(2-propan-2-yloxyethyl)amino]methyl]cyclohexan-1-amine
CID 81055685
ethane;3-ethylcyclohexan-1-amine
CID 164855900

Frequently Asked Questions

What is the IUPAC name of trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine?
The IUPAC name of trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine (CID 95363630) is trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine is CN(C)C[C@H]1CCC[C@H](N)C1.
What is the InChIKey of trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine?
The InChIKey is OQXRMACHJKFJMN-IUCAKERBSA-N. The full InChI is InChI=1S/C9H20N2/c1-11(2)7-8-4-3-5-9(10)6-8/h8-9H,3-7,10H2,1-2H3/t8-,9-/m0/s1.
What are the key properties of trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine?
trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine has a molecular weight of 156.27 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,3S)-3-[(dimethylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 95363630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).