N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

C17H35N3 — CID 63619386

IUPACN-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCC1CN(CC2(CNC(C)C)CCCC2)CCN1C
InChIInChI=1S/C17H35N3/c1-5-16-12-20(11-10-19(16)4)14-17(8-6-7-9-17)13-18-15(2)3/h15-16,18H,5-14H2,1-4H3
InChIKeySXWNPGICZOALOK-UHFFFAOYSA-N
MW281.49 g/mol
LogP2.57
Rot. Bonds6

About N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine

N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (PubChem CID 63619386) has the molecular formula C17H35N3 and a molecular weight of 281.49 g/mol. Its IUPAC name is N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
PubChem CID63619386
Molecular FormulaC17H35N3
Molecular Weight281.49 g/mol
Exact Mass281.28
IUPAC NameN-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
SMILESCCC1CN(CC2(CNC(C)C)CCCC2)CCN1C
InChIInChI=1S/C17H35N3/c1-5-16-12-20(11-10-19(16)4)14-17(8-6-7-9-17)13-18-15(2)3/h15-16,18H,5-14H2,1-4H3
InChIKeySXWNPGICZOALOK-UHFFFAOYSA-N
XLogP2.57
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.49
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-[(3-ethylpyrrolidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 113418866
1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclohexan-1-ol
CID 65208757
N-[[3-[(3-ethyl-4-methylpiperazin-1-yl)methyl]oxan-3-yl]methyl]ethanamine
CID 63741781
[1-[[1-[(propan-2-ylamino)methyl]cyclopentyl]methyl]pyrrolidin-3-yl]methanol
CID 112628956
N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]propan-2-amine
CID 171756110
N-[[1-[(4-propylpiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 63494206
2-[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopropyl]acetonitrile
CID 65495085
N-[[1-[(3-methoxypiperidin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine
CID 102967390
N-[[1-[(3-methoxypyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 103538890
N-[[1-[(2-ethyl-5-methylpyrrolidin-1-yl)methyl]cycloheptyl]methyl]propan-2-amine
CID 83220137
(2S)-1-(3-ethyl-4-methylpiperazin-1-yl)propan-2-amine
CID 103934660
5-(3-ethyl-4-methylpiperazin-1-yl)-N-methylpentan-2-amine
CID 63611231

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine (CID 63619386) is N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is CCC1CN(CC2(CNC(C)C)CCCC2)CCN1C.
What is the InChIKey of N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
The InChIKey is SXWNPGICZOALOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3/c1-5-16-12-20(11-10-19(16)4)14-17(8-6-7-9-17)13-18-15(2)3/h15-16,18H,5-14H2,1-4H3.
What are the key properties of N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine?
N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine has a molecular weight of 281.49 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(3-ethyl-4-methylpiperazin-1-yl)methyl]cyclopentyl]methyl]propan-2-amine is sourced from PubChem (CID 63619386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).