2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine

C16H33N3 — CID 79865591

IUPAC2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN2CCN(C)CC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-5-8-17-15-14(6-7-16(15,2)3)13-19-11-9-18(4)10-12-19/h14-15,17H,5-13H2,1-4H3
InChIKeySOGIHAMPMSDLEY-UHFFFAOYSA-N
MW267.46 g/mol
LogP2.04
Rot. Bonds5

About 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine

2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine (PubChem CID 79865591) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
PubChem CID79865591
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine
SMILESCCCNC1C(CN2CCN(C)CC2)CCC1(C)C
InChIInChI=1S/C16H33N3/c1-5-8-17-15-14(6-7-16(15,2)3)13-19-11-9-18(4)10-12-19/h14-15,17H,5-13H2,1-4H3
InChIKeySOGIHAMPMSDLEY-UHFFFAOYSA-N
XLogP2.04
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-(morpholin-4-ylmethyl)-N-propylcyclopentan-1-amine
CID 79866931
[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-4-yl]methanol
CID 79866549
6-[(4-ethylpiperazin-1-yl)methyl]-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 79842409
2,2-dimethyl-N-propyl-5-(1,4-thiazepan-4-ylmethyl)cyclopentan-1-amine
CID 79855942
5-[(3,4-dimethoxypyrrolidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 103539183
N,2,2-trimethyl-5-[(4-methyl-1,4-diazepan-1-yl)methyl]cyclopentan-1-amine
CID 79866831
1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 79852206
5-[(2,5-dimethylpiperidin-1-yl)methyl]-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79855959
6-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-ylmethyl)-2,2-dimethyl-N-propylcyclohexan-1-amine
CID 115561967
1-[[3,3-dimethyl-2-(propylamino)cyclohexyl]methyl]pyrrolidin-3-ol
CID 79848410
2-[1-[[3,3-dimethyl-2-(propylamino)cyclopentyl]methyl]piperidin-2-yl]ethanol
CID 79866086
1-N,3,3-trimethyl-1-N-(1-methylpiperidin-4-yl)-2-N-propylcyclohexane-1,2-diamine
CID 79835811

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine (CID 79865591) is 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine is CCCNC1C(CN2CCN(C)CC2)CCC1(C)C.
What is the InChIKey of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine?
The InChIKey is SOGIHAMPMSDLEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3/c1-5-8-17-15-14(6-7-16(15,2)3)13-19-11-9-18(4)10-12-19/h14-15,17H,5-13H2,1-4H3.
What are the key properties of 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine?
2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]-N-propylcyclopentan-1-amine is sourced from PubChem (CID 79865591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).