N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine

C15H31N3 — CID 62257004

IUPACN-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
SMILESCNCC1(CN2CCN(C(C)C)CC2)CCCC1
InChIInChI=1S/C15H31N3/c1-14(2)18-10-8-17(9-11-18)13-15(12-16-3)6-4-5-7-15/h14,16H,4-13H2,1-3H3
InChIKeyYHSNXBBXDUZRLG-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine

N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine (PubChem CID 62257004) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
PubChem CID62257004
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine
SMILESCNCC1(CN2CCN(C(C)C)CC2)CCCC1
InChIInChI=1S/C15H31N3/c1-14(2)18-10-8-17(9-11-18)13-15(12-16-3)6-4-5-7-15/h14,16H,4-13H2,1-3H3
InChIKeyYHSNXBBXDUZRLG-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine?
The IUPAC name of N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine (CID 62257004) is N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine?
The canonical SMILES for N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine is CNCC1(CN2CCN(C(C)C)CC2)CCCC1.
What is the InChIKey of N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine?
The InChIKey is YHSNXBBXDUZRLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14(2)18-10-8-17(9-11-18)13-15(12-16-3)6-4-5-7-15/h14,16H,4-13H2,1-3H3.
What are the key properties of N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine?
N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-[(4-propan-2-ylpiperazin-1-yl)methyl]cyclopentyl]methanamine is sourced from PubChem (CID 62257004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).