ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine

C12H31N3 — CID 142040832

IUPACethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
SMILESCC.CN.CNCC1CCCC(CN)C1
InChIInChI=1S/C9H20N2.C2H6.CH5N/c1-11-7-9-4-2-3-8(5-9)6-10;2*1-2/h8-9,11H,2-7,10H2,1H3;1-2H3;2H2,1H3
InChIKeyOCLIQYMBLQFIDW-UHFFFAOYSA-N
MW217.40 g/mol
LogP1.57
Rot. Bonds3

About ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine

ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine (PubChem CID 142040832) has the molecular formula C12H31N3 and a molecular weight of 217.40 g/mol. Its IUPAC name is ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine.

Molecular Properties

Compound Nameethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
PubChem CID142040832
Molecular FormulaC12H31N3
Molecular Weight217.40 g/mol
Exact Mass217.25
IUPAC Nameethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine
SMILESCC.CN.CNCC1CCCC(CN)C1
InChIInChI=1S/C9H20N2.C2H6.CH5N/c1-11-7-9-4-2-3-8(5-9)6-10;2*1-2/h8-9,11H,2-7,10H2,1H3;1-2H3;2H2,1H3
InChIKeyOCLIQYMBLQFIDW-UHFFFAOYSA-N
XLogP1.57
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.40
LogP ≤ 51.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

[(1S,3S)-3-(aminomethyl)cyclohexyl]methanamine
CID 6951512
2-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 142152689
N-[[3-(aminomethyl)cyclononyl]methyl]ethanamine
CID 154972163
N-[[3-(aminomethyl)cyclohexyl]methyl]formamide
CID 87717758
1-[3-[(dimethylamino)methyl]cyclohexyl]-N-methylmethanamine
CID 19029842
[3-[[[4-[[[3-(aminomethyl)cyclohexyl]methylamino]methyl]phenyl]methylamino]methyl]cyclohexyl]methanamine
CID 145151914
[(1R,3R)-3-(aminomethyl)cyclohexyl]methanol
CID 124563459
(3-methylcyclohexyl)methanamine
CID 18361468
1-cyclopentyl-N-methylmethanamine;molecular hydrogen
CID 142969533
N-methyl-1-[(5R)-5-methylcyclononyl]methanamine
CID 155332043
[(1S,3R)-3-(aminomethyl)cyclohexyl]methanol;hydrochloride
CID 134690925
1-[3-(aminomethyl)cyclohexyl]-N-methylethanamine
CID 170046729

Frequently Asked Questions

What is the IUPAC name of ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine?
The IUPAC name of ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine (CID 142040832) is ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine.
What is the SMILES notation for ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine?
The canonical SMILES for ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine is CC.CN.CNCC1CCCC(CN)C1.
What is the InChIKey of ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine?
The InChIKey is OCLIQYMBLQFIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C2H6.CH5N/c1-11-7-9-4-2-3-8(5-9)6-10;2*1-2/h8-9,11H,2-7,10H2,1H3;1-2H3;2H2,1H3.
What are the key properties of ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine?
ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine has a molecular weight of 217.40 g/mol, XLogP of 1.57, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methanamine;[3-(methylaminomethyl)cyclohexyl]methanamine is sourced from PubChem (CID 142040832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).