4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine

C10H19ClN2 — CID 79120943

IUPAC4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine
SMILESC=C(Cl)CN(C)C1CCC(N)CC1
InChIInChI=1S/C10H19ClN2/c1-8(11)7-13(2)10-5-3-9(12)4-6-10/h9-10H,1,3-7,12H2,2H3
InChIKeyVFCLSNMVRNBRIU-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.94
Rot. Bonds3

About 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine

4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine (PubChem CID 79120943) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine
PubChem CID79120943
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine
SMILESC=C(Cl)CN(C)C1CCC(N)CC1
InChIInChI=1S/C10H19ClN2/c1-8(11)7-13(2)10-5-3-9(12)4-6-10/h9-10H,1,3-7,12H2,2H3
InChIKeyVFCLSNMVRNBRIU-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-aminocyclohexyl)-methylamino]-N-cycloheptylacetamide
CID 79120936
ethyl 2-[(4-aminocyclohexyl)-methylamino]acetate
CID 79121417
1-[[(4-aminocyclohexyl)-methylamino]methyl]cyclopropan-1-ol
CID 172599097
4-[amino(methyl)amino]cyclohexan-1-amine
CID 131970686
4-N-methyl-4-N-(2-methylpropyl)cyclohexane-1,4-diamine
CID 62807255
2-[(4-aminocyclohexyl)-methylamino]-N-pyrimidin-2-ylacetamide
CID 79121088
2-[(3-aminocyclopentyl)-methylamino]-N-methylacetamide
CID 79467903
3-[[(3-aminocyclopentyl)-methylamino]methyl]cyclobutan-1-ol
CID 79468938
[cyclopropyl(methyl)amino]methanol
CID 89240777
4-N-(1-adamantylmethyl)-4-N-methylcyclohexane-1,4-diamine
CID 79113300
3-[[cyclopentyl(methyl)amino]methyl]cyclopentan-1-amine
CID 66008623
2-[(4-aminocyclohexyl)-methylamino]-1-(3-methylpiperidin-1-yl)ethanone
CID 79121016

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine?
The IUPAC name of 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine (CID 79120943) is 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine?
The canonical SMILES for 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine is C=C(Cl)CN(C)C1CCC(N)CC1.
What is the InChIKey of 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine?
The InChIKey is VFCLSNMVRNBRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-8(11)7-13(2)10-5-3-9(12)4-6-10/h9-10H,1,3-7,12H2,2H3.
What are the key properties of 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine?
4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine has a molecular weight of 202.73 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-chloroprop-2-enyl)-4-N-methylcyclohexane-1,4-diamine is sourced from PubChem (CID 79120943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).