N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine

C12H22N2 — CID 60692486

IUPACN,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine
SMILESC#CCNCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H22N2/c1-4-10-13-11-12(14(2)3)8-6-5-7-9-12/h1,13H,5-11H2,2-3H3
InChIKeySGCBMSKYHUMYGB-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.47
Rot. Bonds4

About N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine

N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine (PubChem CID 60692486) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine
PubChem CID60692486
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine
SMILESC#CCNCC1(N(C)C)CCCCC1
InChIInChI=1S/C12H22N2/c1-4-10-13-11-12(14(2)3)8-6-5-7-9-12/h1,13H,5-11H2,2-3H3
InChIKeySGCBMSKYHUMYGB-UHFFFAOYSA-N
XLogP1.47
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine?
The IUPAC name of N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine (CID 60692486) is N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine is C#CCNCC1(N(C)C)CCCCC1.
What is the InChIKey of N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine?
The InChIKey is SGCBMSKYHUMYGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-10-13-11-12(14(2)3)8-6-5-7-9-12/h1,13H,5-11H2,2-3H3.
What are the key properties of N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine?
N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[(prop-2-ynylamino)methyl]cyclohexan-1-amine is sourced from PubChem (CID 60692486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).