2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine

C12H27N3 — CID 107895642

IUPAC2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCCCC(C)N1CCN(C(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-11(2)14-6-8-15(9-7-14)12(3)10-13/h11-12H,4-10,13H2,1-3H3
InChIKeyRMWFRJGZCLKYKV-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.14
Rot. Bonds5

About 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine

2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine (PubChem CID 107895642) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine.

Molecular Properties

Compound Name2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
PubChem CID107895642
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC Name2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine
SMILESCCCC(C)N1CCN(C(C)CN)CC1
InChIInChI=1S/C12H27N3/c1-4-5-11(2)14-6-8-15(9-7-14)12(3)10-13/h11-12H,4-10,13H2,1-3H3
InChIKeyRMWFRJGZCLKYKV-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-4-[(2R)-pentan-2-yl]piperazine
CID 97304611
4-pentan-2-ylthiomorpholine
CID 127402640
2-(4-hexylpiperazin-1-yl)propan-1-amine
CID 63340593
3-(4-pentan-2-yl-1,4-diazepan-1-yl)propan-1-amine
CID 107895614
4-(4-propylpiperazin-1-yl)pentan-1-amine
CID 62423620
2-(4-ethyl-4-methylpiperidin-1-yl)propan-1-amine
CID 63157136
1-[1-(1-aminopropan-2-yl)piperidin-4-yl]ethanol
CID 106835616
2-(aminomethyl)-1-(4-butan-2-ylpiperazin-1-yl)pentan-1-one
CID 62773291
2-(1,1-dioxo-1,4-thiazinan-4-yl)propan-1-amine
CID 43581307
2-(4-butan-2-ylpiperazin-1-yl)octan-1-amine
CID 62772459
1-(2-chloroethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887374
1-(2-bromoethyl)-4-pentan-2-yl-1,4-diazepane
CID 107887476

Frequently Asked Questions

What is the IUPAC name of 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine?
The IUPAC name of 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine (CID 107895642) is 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine.
What is the SMILES notation for 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine?
The canonical SMILES for 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine is CCCC(C)N1CCN(C(C)CN)CC1.
What is the InChIKey of 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine?
The InChIKey is RMWFRJGZCLKYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-4-5-11(2)14-6-8-15(9-7-14)12(3)10-13/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine?
2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine has a molecular weight of 213.37 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-pentan-2-ylpiperazin-1-yl)propan-1-amine is sourced from PubChem (CID 107895642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).