3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine

C13H27N3 — CID 61445469

IUPAC3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
SMILESCCNCCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-2-14-6-3-7-15-8-10-16(11-9-15)12-13-4-5-13/h13-14H,2-12H2,1H3
InChIKeyJADOSVNTPPHTJE-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds7

About 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine

3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine (PubChem CID 61445469) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine.

Molecular Properties

Compound Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
PubChem CID61445469
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
SMILESCCNCCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C13H27N3/c1-2-14-6-3-7-15-8-10-16(11-9-15)12-13-4-5-13/h13-14H,2-12H2,1H3
InChIKeyJADOSVNTPPHTJE-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[4-[[1-[3-(ethylamino)propyl]piperidin-4-yl]methyl]piperazin-1-yl]-3-methylbutan-2-one
CID 176576642
N-propyl-3-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]propan-1-amine
CID 63009499
N-ethyl-3-pyrrolidin-1-ylpropan-1-amine
CID 23440046
N-ethyl-4-(4-propylpiperazin-1-yl)butan-1-amine
CID 62424325
N-ethyl-3-piperazin-1-ylpropan-1-amine
CID 89107698
4-(4-cyclopentylpiperazin-1-yl)-N-ethylbutan-1-amine
CID 62448794
N-methyl-3-[4-(piperidin-4-ylmethyl)piperazin-1-yl]propan-1-amine
CID 177055250
ethane;N-ethyl-3-morpholin-4-ylpropan-1-amine
CID 170595450
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
CID 62411059
N-[2-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]ethyl]butan-1-amine
CID 63008881
5-(4-cyclopentylpiperazin-1-yl)-N-ethylpentan-1-amine
CID 62446737
2-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethyl-3-methylbutan-1-amine
CID 62411228

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine?
The IUPAC name of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine (CID 61445469) is 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine.
What is the SMILES notation for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine?
The canonical SMILES for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine is CCNCCCN1CCN(CC2CC2)CC1.
What is the InChIKey of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine?
The InChIKey is JADOSVNTPPHTJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-2-14-6-3-7-15-8-10-16(11-9-15)12-13-4-5-13/h13-14H,2-12H2,1H3.
What are the key properties of 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine?
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.01, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine is sourced from PubChem (CID 61445469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).