N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride

C14H29ClN2 — CID 115584803

IUPACN'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCCCCC1)C1CC1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-16(2)14(12-9-10-12)11-15-13-7-5-3-4-6-8-13;/h12-15H,3-11H2,1-2H3;1H
InChIKeyFQTVWYIASYKVCH-UHFFFAOYSA-N
MW260.85 g/mol
LogP3.06
Rot. Bonds5

About N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride

N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride (PubChem CID 115584803) has the molecular formula C14H29ClN2 and a molecular weight of 260.85 g/mol. Its IUPAC name is N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride.

Molecular Properties

Compound NameN'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
PubChem CID115584803
Molecular FormulaC14H29ClN2
Molecular Weight260.85 g/mol
Exact Mass260.20
IUPAC NameN'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride
SMILESCN(C)C(CNC1CCCCCC1)C1CC1.Cl
InChIInChI=1S/C14H28N2.ClH/c1-16(2)14(12-9-10-12)11-15-13-7-5-3-4-6-8-13;/h12-15H,3-11H2,1-2H3;1H
InChIKeyFQTVWYIASYKVCH-UHFFFAOYSA-N
XLogP3.06
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.85
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N,N-dimethyl-N'-(thian-4-yl)ethane-1,2-diamine;hydrochloride
CID 115584811
1-N-cyclopentyl-2-N,2-N-dimethylpropane-1,2-diamine
CID 61044044
N-(2-cyclopropylpropyl)cyclooctanamine
CID 115592679
1-N-cyclohexyl-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 43205547
N-[(2S)-2-cyclohexyl-2-(dimethylamino)ethyl]-2-methoxyacetamide
CID 94119176
2-amino-N-[2-cyclohexyl-2-(dimethylamino)ethyl]acetamide
CID 119850519
1-N-cyclohexyl-2-N-cyclopropylpropane-1,2-diamine
CID 62568486
ethane;N-(2-methylpropyl)cyclopentanamine
CID 156893756
1-cyclohexyl-N,N-dimethyl-N'-(2-morpholin-3-ylcyclopentyl)ethane-1,2-diamine;hydrochloride
CID 120915734
1-(cyclooctylamino)propan-2-ol
CID 20539535
1-(cycloheptylamino)propan-2-ol
CID 43392225
N-(2-chloro-2-cyclopropylethyl)cyclopentanamine
CID 82937257

Frequently Asked Questions

What is the IUPAC name of N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride?
The IUPAC name of N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride (CID 115584803) is N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride.
What is the SMILES notation for N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride?
The canonical SMILES for N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride is CN(C)C(CNC1CCCCCC1)C1CC1.Cl.
What is the InChIKey of N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride?
The InChIKey is FQTVWYIASYKVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2.ClH/c1-16(2)14(12-9-10-12)11-15-13-7-5-3-4-6-8-13;/h12-15H,3-11H2,1-2H3;1H.
What are the key properties of N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride?
N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride has a molecular weight of 260.85 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cycloheptyl-1-cyclopropyl-N,N-dimethylethane-1,2-diamine;hydrochloride is sourced from PubChem (CID 115584803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).