2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine

C14H29N3 — CID 65233062

IUPAC2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine
SMILESCCCC(CN)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-14(10-15)12-17-8-6-16(7-9-17)11-13-4-5-13/h13-14H,2-12,15H2,1H3
InChIKeyZVTWYJAUUFPYRL-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.39
Rot. Bonds7

About 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine

2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine (PubChem CID 65233062) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine.

Molecular Properties

Compound Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine
PubChem CID65233062
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine
SMILESCCCC(CN)CN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-2-3-14(10-15)12-17-8-6-16(7-9-17)11-13-4-5-13/h13-14H,2-12,15H2,1H3
InChIKeyZVTWYJAUUFPYRL-UHFFFAOYSA-N
XLogP1.39
TPSA32.50 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 ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(cyclopropylmethyl)piperazin-1-yl]pentan-2-amine
CID 61442918
1-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylpentan-2-amine
CID 62042082
2-[4-(cyclopropylmethyl)piperazin-1-yl]hexan-1-amine
CID 61440391
1-[4-(cyclopropylmethyl)piperazin-1-yl]propan-2-amine
CID 61441180
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
2-(8-azaspiro[4.5]decan-8-ylmethyl)pentan-1-amine
CID 65233266
2-[4-(cyclopropylmethyl)piperazin-1-yl]octan-1-amine
CID 61441064
2-methyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 55141477
2-(1,2,4,5-tetrahydro-3-benzazepin-3-ylmethyl)pentan-1-amine
CID 65232675
2-[(2-methylmorpholin-4-yl)methyl]pentan-1-amine
CID 65228493
3-methyl-2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]hexan-1-amine
CID 62995232
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine?
The IUPAC name of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine (CID 65233062) is 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine.
What is the SMILES notation for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine?
The canonical SMILES for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine is CCCC(CN)CN1CCN(CC2CC2)CC1.
What is the InChIKey of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine?
The InChIKey is ZVTWYJAUUFPYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-2-3-14(10-15)12-17-8-6-16(7-9-17)11-13-4-5-13/h13-14H,2-12,15H2,1H3.
What are the key properties of 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine?
2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.39, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(cyclopropylmethyl)piperazin-1-yl]methyl]pentan-1-amine is sourced from PubChem (CID 65233062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).