3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine

C13H29N3 — CID 79812652

IUPAC3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
SMILESCCCN1CCN(CC(N)(CC)CC)CC1
InChIInChI=1S/C13H29N3/c1-4-7-15-8-10-16(11-9-15)12-13(14,5-2)6-3/h4-12,14H2,1-3H3
InChIKeyFMSFFDJLUWZWFP-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.53
Rot. Bonds6

About 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine

3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine (PubChem CID 79812652) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine.

Molecular Properties

Compound Name3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
PubChem CID79812652
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC Name3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine
SMILESCCCN1CCN(CC(N)(CC)CC)CC1
InChIInChI=1S/C13H29N3/c1-4-7-15-8-10-16(11-9-15)12-13(14,5-2)6-3/h4-12,14H2,1-3H3
InChIKeyFMSFFDJLUWZWFP-UHFFFAOYSA-N
XLogP1.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.40
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-methylpiperazin-1-yl)methyl]pentan-3-amine
CID 79814472
2-methyl-1-(4-propylpiperazin-1-yl)butan-2-ol
CID 114495323
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62263340
3-(1,4-thiazepan-4-ylmethyl)pentan-3-amine
CID 79813676
1-propyl-4-(2,2,2-trifluoroethyl)-1,4-diazepane
CID 176694162
2,2-dimethyl-3-(4-propylpiperazin-1-yl)propanal
CID 62278455
3-[(4-propan-2-ylazepan-1-yl)methyl]pentan-3-amine
CID 79814334
1-propyl-4-(2-pyrrolidin-1-ylethyl)piperazine
CID 135208810
1-tert-butyl-4-propylpiperazine
CID 58721754
3-[(3,3-diethylazetidin-1-yl)methyl]pentan-3-amine
CID 115306389
2-methyl-2-[(4-propylpiperazin-1-yl)methyl]pentan-1-ol
CID 62270175
1-(2,2-dimethylpropyl)azetidine;ethane;1-propylpyrrolidine
CID 142420911

Frequently Asked Questions

What is the IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine?
The IUPAC name of 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine (CID 79812652) is 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine.
What is the SMILES notation for 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine?
The canonical SMILES for 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine is CCCN1CCN(CC(N)(CC)CC)CC1.
What is the InChIKey of 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine?
The InChIKey is FMSFFDJLUWZWFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-4-7-15-8-10-16(11-9-15)12-13(14,5-2)6-3/h4-12,14H2,1-3H3.
What are the key properties of 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine?
3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine has a molecular weight of 227.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-propylpiperazin-1-yl)methyl]pentan-3-amine is sourced from PubChem (CID 79812652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).