N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine

C14H29N3 — CID 62411059

IUPACN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyJKTYOIWSJSSOQX-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.26
Rot. Bonds7

About N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine

N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine (PubChem CID 62411059) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
PubChem CID62411059
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine
SMILESCC(C)CNCCN1CCN(CC2CC2)CC1
InChIInChI=1S/C14H29N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14-3-4-14/h13-15H,3-12H2,1-2H3
InChIKeyJKTYOIWSJSSOQX-UHFFFAOYSA-N
XLogP1.26
TPSA18.51 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 ≤ 51.26
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

2-methyl-N-[2-(4-propan-2-ylpiperidin-1-yl)ethyl]propan-1-amine
CID 103503235
2-methyl-N-[2-(4-propylpiperidin-1-yl)ethyl]propan-1-amine
CID 62437822
2-methyl-N-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]propan-1-amine
CID 62433428
N-[2-(azocan-1-yl)ethyl]-2-methylpropan-1-amine
CID 62419801
N-[2-(4-tert-butylpiperazin-1-yl)ethyl]-2-methylpropan-1-amine
CID 62463178
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
2-methyl-N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]propan-1-amine
CID 62575111
3-[4-(cyclopropylmethyl)piperazin-1-yl]-2-methyl-N-propylpropan-1-amine
CID 55069148
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-ethylpropan-1-amine
CID 61445469
2-methyl-N-[2-(1-methylpiperidin-4-yl)ethyl]propan-1-amine
CID 115876275
5-(4-ethylpiperidin-1-yl)-N-(2-methylpropyl)pentan-1-amine
CID 55069235

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine (CID 62411059) is N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine is CC(C)CNCCN1CCN(CC2CC2)CC1.
What is the InChIKey of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine?
The InChIKey is JKTYOIWSJSSOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(2)11-15-5-6-16-7-9-17(10-8-16)12-14-3-4-14/h13-15H,3-12H2,1-2H3.
What are the key properties of N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine?
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine has a molecular weight of 239.41 g/mol, XLogP of 1.26, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62411059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).