1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine

C14H29N3 — CID 62042082

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
SMILESCCCC(CN1CCN(CC2CC2)CC1)NC
InChIInChI=1S/C14H29N3/c1-3-4-14(15-2)12-17-9-7-16(8-10-17)11-13-5-6-13/h13-15H,3-12H2,1-2H3
InChIKeyIJUFLYGBGZELAA-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds7

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine

1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine (PubChem CID 62042082) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
PubChem CID62042082
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
SMILESCCCC(CN1CCN(CC2CC2)CC1)NC
InChIInChI=1S/C14H29N3/c1-3-4-14(15-2)12-17-9-7-16(8-10-17)11-13-5-6-13/h13-15H,3-12H2,1-2H3
InChIKeyIJUFLYGBGZELAA-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine (CID 62042082) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine is CCCC(CN1CCN(CC2CC2)CC1)NC.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine?
The InChIKey is IJUFLYGBGZELAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-3-4-14(15-2)12-17-9-7-16(8-10-17)11-13-5-6-13/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine is sourced from PubChem (CID 62042082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).