2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine

C11H24N2 — CID 106827234

IUPAC2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
SMILESCC(CN)NCC1(C)CCCCC1
InChIInChI=1S/C11H24N2/c1-10(8-12)13-9-11(2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyFVHVGRALOBMSMG-UHFFFAOYSA-N
MW184.33 g/mol
LogP1.89
Rot. Bonds4

About 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine

2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine (PubChem CID 106827234) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine.

Molecular Properties

Compound Name2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
PubChem CID106827234
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine
SMILESCC(CN)NCC1(C)CCCCC1
InChIInChI=1S/C11H24N2/c1-10(8-12)13-9-11(2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3
InChIKeyFVHVGRALOBMSMG-UHFFFAOYSA-N
XLogP1.89
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-N-[(1-methylcyclohexyl)methyl]propan-2-amine
CID 103903509
3-[(1-methylcycloheptyl)methylamino]butanenitrile
CID 115909164
N-[(1-methylcyclobutyl)methyl]hexan-2-amine
CID 103903182
3-methoxy-N-[(1-methylcycloheptyl)methyl]butan-2-amine
CID 115909205
(1-methylcyclotridecyl)methylhydrazine
CID 154988457
1-cyclobutyl-N-[(1-methylcyclobutyl)methyl]propan-2-amine
CID 115892752
1,1-dicyclopropyl-N-[(1-methylcyclohexyl)methyl]methanamine
CID 103903505
N-[(1-methylcyclohexyl)methyl]-1-piperidin-2-ylpropan-2-amine
CID 114094809
N'-hydroxy-2-[(1-methylcyclopentyl)methylamino]propanimidamide
CID 77027223
N-[[1-(aminomethyl)cyclohexyl]methyl]butan-2-amine
CID 115438135
3,3-dimethyl-N-[(1-methylcyclobutyl)methyl]butan-2-amine
CID 115892765
1-N-[(1-methylcyclopentyl)methyl]propane-1,2-diamine
CID 63831246

Frequently Asked Questions

What is the IUPAC name of 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine?
The IUPAC name of 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine (CID 106827234) is 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine.
What is the SMILES notation for 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine?
The canonical SMILES for 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine is CC(CN)NCC1(C)CCCCC1.
What is the InChIKey of 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine?
The InChIKey is FVHVGRALOBMSMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2/c1-10(8-12)13-9-11(2)6-4-3-5-7-11/h10,13H,3-9,12H2,1-2H3.
What are the key properties of 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine?
2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine has a molecular weight of 184.33 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(1-methylcyclohexyl)methyl]propane-1,2-diamine is sourced from PubChem (CID 106827234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).