1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

C15H31Cl2N3O — CID 119878774

IUPAC1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1(N)CCCCC1)C1CCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-18(13-7-3-4-8-13)12-11-17-14(19)15(16)9-5-2-6-10-15;;/h13H,2-12,16H2,1H3,(H,17,19);2*1H
InChIKeyIAVNCJCZCOBVHI-UHFFFAOYSA-N
MW340.34 g/mol
LogP2.48
Rot. Bonds5

About 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride

1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (PubChem CID 119878774) has the molecular formula C15H31Cl2N3O and a molecular weight of 340.34 g/mol. Its IUPAC name is 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
PubChem CID119878774
Molecular FormulaC15H31Cl2N3O
Molecular Weight340.34 g/mol
Exact Mass339.18
IUPAC Name1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride
SMILESCN(CCNC(=O)C1(N)CCCCC1)C1CCCC1.Cl.Cl
InChIInChI=1S/C15H29N3O.2ClH/c1-18(13-7-3-4-8-13)12-11-17-14(19)15(16)9-5-2-6-10-15;;/h13H,2-12,16H2,1H3,(H,17,19);2*1H
InChIKeyIAVNCJCZCOBVHI-UHFFFAOYSA-N
XLogP2.48
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.34
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 59205256
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CID 80589183
1-[2-[2-[cyclopropyl(methyl)amino]ethylamino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 62975203
1-amino-N-[2-(diethylamino)ethyl]cyclopentane-1-carboxamide
CID 60867384
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methyloxolane-3-carboxamide
CID 66264467
4-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide;dihydrochloride
CID 119878781
2-(1-aminocyclobutyl)-N-[2-[cyclopropyl(methyl)amino]ethyl]acetamide
CID 79854308
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119878729
1-cyano-N-[2-[cyclopentyl(methyl)amino]ethyl]-3-methylcyclobutane-1-carboxamide
CID 80502256
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The IUPAC name of 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride (CID 119878774) is 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride.
What is the SMILES notation for 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The canonical SMILES for 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is CN(CCNC(=O)C1(N)CCCCC1)C1CCCC1.Cl.Cl.
What is the InChIKey of 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
The InChIKey is IAVNCJCZCOBVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O.2ClH/c1-18(13-7-3-4-8-13)12-11-17-14(19)15(16)9-5-2-6-10-15;;/h13H,2-12,16H2,1H3,(H,17,19);2*1H.
What are the key properties of 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride?
1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride has a molecular weight of 340.34 g/mol, XLogP of 2.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]cyclohexane-1-carboxamide;dihydrochloride is sourced from PubChem (CID 119878774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).