2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine

C12H26N2 — CID 165466127

IUPAC2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C1CCCCCC1
InChIInChI=1S/C12H26N2/c1-14(2)10-12(9-13)11-7-5-3-4-6-8-11/h11-12H,3-10,13H2,1-2H3
InChIKeyUVNWMHCDAOICGL-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.09
Rot. Bonds4

About 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine

2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine (PubChem CID 165466127) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine.

Molecular Properties

Compound Name2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine
PubChem CID165466127
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine
SMILESCN(C)CC(CN)C1CCCCCC1
InChIInChI=1S/C12H26N2/c1-14(2)10-12(9-13)11-7-5-3-4-6-8-11/h11-12H,3-10,13H2,1-2H3
InChIKeyUVNWMHCDAOICGL-UHFFFAOYSA-N
XLogP2.09
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclobutyl-N',N'-dimethylpropane-1,3-diamine
CID 117245609
N',N'-dimethyl-2-(1-methylpiperidin-4-yl)propane-1,3-diamine
CID 117239062
N',N'-dimethyl-2-(1-methylpyrrolidin-3-yl)propane-1,3-diamine
CID 117237610
(3-amino-2-cyclohexylpropyl)phosphonous acid
CID 10058776
2-cyclopentyl-2-hydrazinyl-N,N-dimethylethanamine
CID 105244656
(2S)-2-cycloheptylpropan-1-amine
CID 96634967
3-cyclohexyl-2-hydrazinyl-N,N-dimethylpropan-1-amine
CID 105244700
(3R)-4-amino-3-cyclohexylbutanoic acid
CID 8000611
methyl 4-amino-3-cyclohexylbutanoate
CID 66098715
2-cyclopentyloctan-1-amine
CID 112569591
2-cyclohexylhex-5-en-1-amine
CID 66694648
2-cyclohexylpropan-1-amine;hydrochloride
CID 24837056

Frequently Asked Questions

What is the IUPAC name of 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine?
The IUPAC name of 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine (CID 165466127) is 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine.
What is the SMILES notation for 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine?
The canonical SMILES for 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine is CN(C)CC(CN)C1CCCCCC1.
What is the InChIKey of 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine?
The InChIKey is UVNWMHCDAOICGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-14(2)10-12(9-13)11-7-5-3-4-6-8-11/h11-12H,3-10,13H2,1-2H3.
What are the key properties of 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine?
2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cycloheptyl-N',N'-dimethylpropane-1,3-diamine is sourced from PubChem (CID 165466127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).