N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine

C16H30N4 — CID 82876946

IUPACN,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)C1(N(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-5-11-17-15(13-14-8-12-20(4)18-14)16(19(2)3)9-6-7-10-16/h8,12,15,17H,5-7,9-11,13H2,1-4H3
InChIKeyTXOFXUYAEUUPKF-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.21
Rot. Bonds7

About N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine

N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine (PubChem CID 82876946) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
PubChem CID82876946
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC NameN,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine
SMILESCCCNC(Cc1ccn(C)n1)C1(N(C)C)CCCC1
InChIInChI=1S/C16H30N4/c1-5-11-17-15(13-14-8-12-20(4)18-14)16(19(2)3)9-6-7-10-16/h8,12,15,17H,5-7,9-11,13H2,1-4H3
InChIKeyTXOFXUYAEUUPKF-UHFFFAOYSA-N
XLogP2.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,1-N-dimethyl-3-(1-methylpyrazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 82877837
N-[1,2-bis(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 82876021
N,N-dimethyl-1-[2-(2-methylphenyl)-1-(propylamino)ethyl]cyclopentan-1-amine
CID 79058648
N-ethyl-1-(1-methoxycyclohexyl)-2-(1-methylpyrazol-3-yl)ethanamine
CID 116763128
1-[ethylamino-(1-methylpyrazol-3-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 103131095
N-[(1-methylcyclopentyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103134493
[2-(1-methylpyrazol-3-yl)-1-(1-pyrrolidin-1-ylcyclopentyl)ethyl]hydrazine
CID 105242808
1-[1-hydrazinyl-2-(1-propan-2-ylpyrazol-3-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 105243166
N,N-dimethyl-1-[3-methyl-1-(propylamino)butyl]cyclopentan-1-amine
CID 79069925
N-[1-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 115998309
3,3-dimethyl-1-(1-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 105025716
N-[1-(2-methyloxan-2-yl)-2-(1-propan-2-ylpyrazol-3-yl)ethyl]propan-1-amine
CID 80684207

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The IUPAC name of N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine (CID 82876946) is N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine is CCCNC(Cc1ccn(C)n1)C1(N(C)C)CCCC1.
What is the InChIKey of N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine?
The InChIKey is TXOFXUYAEUUPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-5-11-17-15(13-14-8-12-20(4)18-14)16(19(2)3)9-6-7-10-16/h8,12,15,17H,5-7,9-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine?
N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-(1-methylpyrazol-3-yl)-1-(propylamino)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 82876946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).