N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

C12H24N2 — CID 43180683

IUPACN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3
InChIKeyHPWQQSUBDGLJEG-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.88
Rot. Bonds6

About N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine

N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (PubChem CID 43180683) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
PubChem CID43180683
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CCCNCC1CC=CCC1
InChIInChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3
InChIKeyHPWQQSUBDGLJEG-UHFFFAOYSA-N
XLogP1.88
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(cyclohex-3-en-1-ylmethylamino)hexan-1-ol
CID 115908967
5-(cyclohex-3-en-1-ylmethylamino)pentan-2-ol
CID 107267824
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine;ethane
CID 177009709
N-(cyclohex-3-en-1-ylmethyl)-3-cyclohexyloxypropan-1-amine
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3-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxypropanimidamide
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N-(cyclohex-3-en-1-ylmethyl)-1-cyclohexylmethanamine
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4-(cyclohex-3-en-1-ylmethylamino)-N'-hydroxy-2,2-dimethylbutanimidamide
CID 77062652
4-[[3-(dimethylamino)propylamino]methyl]cyclohexane-1-carboxylic acid
CID 104964071
N-(cyclohex-3-en-1-ylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 113218918
N'-(cyclohex-3-en-1-ylmethyl)-N'-ethyl-N,N-dimethylethane-1,2-diamine
CID 2845835
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CID 115572796

Frequently Asked Questions

What is the IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine (CID 43180683) is N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is CN(C)CCCNCC1CC=CCC1.
What is the InChIKey of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is HPWQQSUBDGLJEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-14(2)10-6-9-13-11-12-7-4-3-5-8-12/h3-4,12-13H,5-11H2,1-2H3.
What are the key properties of N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine?
N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 196.34 g/mol, XLogP of 1.88, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohex-3-en-1-ylmethyl)-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 43180683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).