2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine

C12H24N2 — CID 13445920

IUPAC2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine
SMILESCC(C)NC1=C(CN(C)C)CCCC1
InChIInChI=1S/C12H24N2/c1-10(2)13-12-8-6-5-7-11(12)9-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyVXBDXYVQKURVFX-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.37
Rot. Bonds4

About 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine

2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine (PubChem CID 13445920) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine
PubChem CID13445920
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine
SMILESCC(C)NC1=C(CN(C)C)CCCC1
InChIInChI=1S/C12H24N2/c1-10(2)13-12-8-6-5-7-11(12)9-14(3)4/h10,13H,5-9H2,1-4H3
InChIKeyVXBDXYVQKURVFX-UHFFFAOYSA-N
XLogP2.37
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine (CID 13445920) is 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine is CC(C)NC1=C(CN(C)C)CCCC1.
What is the InChIKey of 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine?
The InChIKey is VXBDXYVQKURVFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-10(2)13-12-8-6-5-7-11(12)9-14(3)4/h10,13H,5-9H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine?
2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.37, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-N-propan-2-ylcyclohexen-1-amine is sourced from PubChem (CID 13445920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).