N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

C13H29N3 — CID 62772925

IUPACN-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-14-10-13(4)16-8-6-15(7-9-16)11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyPMOCNTCCMHISJQ-UHFFFAOYSA-N
MW227.40 g/mol
LogP1.26
Rot. Bonds6

About N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine

N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (PubChem CID 62772925) has the molecular formula C13H29N3 and a molecular weight of 227.40 g/mol. Its IUPAC name is N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
PubChem CID62772925
Molecular FormulaC13H29N3
Molecular Weight227.40 g/mol
Exact Mass227.24
IUPAC NameN-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
SMILESCCNCC(C)N1CCN(CC(C)C)CC1
InChIInChI=1S/C13H29N3/c1-5-14-10-13(4)16-8-6-15(7-9-16)11-12(2)3/h12-14H,5-11H2,1-4H3
InChIKeyPMOCNTCCMHISJQ-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-[2-[4-(2-methylpropyl)piperazin-1-yl]propyl]propan-1-amine
CID 62773305
1-(ethylamino)-3-[4-(2-methylpropyl)piperazin-1-yl]propan-2-ol
CID 62775672
N-ethyl-4-[4-(2-methylpropyl)piperazin-1-yl]pentan-1-amine
CID 62776961
3-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62777232
4-[4-(2-methylpropyl)piperazin-1-yl]pentan-2-ol
CID 64720384
N-ethyl-2,2-dimethyl-3-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine
CID 62777636
N-ethyl-3-[4-(2-methylpropyl)piperazin-1-yl]heptan-4-amine
CID 62776737
N-[2-(4-ethylpiperazin-1-yl)propyl]pentan-1-amine
CID 62557992
3-[4-(2-methylpropyl)piperazin-1-yl]butanoic acid
CID 62777980
N,3-dimethyl-2-[4-(2-methylpropyl)piperazin-1-yl]butan-1-amine
CID 62776257
N-[2-(4-butan-2-ylpiperazin-1-yl)propyl]-3-methylbutan-1-amine
CID 62773868
3-[4-(2-methylpropyl)piperazin-1-yl]butanehydrazide
CID 63572637

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The IUPAC name of N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine (CID 62772925) is N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine.
What is the SMILES notation for N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The canonical SMILES for N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is CCNCC(C)N1CCN(CC(C)C)CC1.
What is the InChIKey of N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
The InChIKey is PMOCNTCCMHISJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N3/c1-5-14-10-13(4)16-8-6-15(7-9-16)11-12(2)3/h12-14H,5-11H2,1-4H3.
What are the key properties of N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine?
N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine has a molecular weight of 227.40 g/mol, XLogP of 1.26, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[4-(2-methylpropyl)piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 62772925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).