N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

C15H31N3 — CID 55216809

IUPACN-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CCNCC2CCCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-14-13-18(11-10-17(14)2)9-8-16-12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyRXFNBGMNCTWWMW-UHFFFAOYSA-N
MW253.43 g/mol
LogP1.79
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (PubChem CID 55216809) has the molecular formula C15H31N3 and a molecular weight of 253.43 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
PubChem CID55216809
Molecular FormulaC15H31N3
Molecular Weight253.43 g/mol
Exact Mass253.25
IUPAC NameN-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
SMILESCC1CN(CCNCC2CCCCC2)CCN1C
InChIInChI=1S/C15H31N3/c1-14-13-18(11-10-17(14)2)9-8-16-12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3
InChIKeyRXFNBGMNCTWWMW-UHFFFAOYSA-N
XLogP1.79
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 51.79
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

N-(cyclopentylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216811
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-1-amine
CID 63608579
N-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]-3-ethoxypropan-1-amine
CID 63621516
2-(3,4-dimethylpiperazin-1-yl)-N-(2-ethoxyethyl)ethanamine
CID 63620338
N-(2-butoxyethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine
CID 55216424
N-[2-(3,4-dimethylpiperazin-1-yl)ethyl]propan-2-amine
CID 63609661
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
N-(cyclopentylmethyl)-2-(4-methylsulfonylpiperazin-1-yl)ethanamine
CID 63003319
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine (CID 55216809) is N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is CC1CN(CCNCC2CCCCC2)CCN1C.
What is the InChIKey of N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
The InChIKey is RXFNBGMNCTWWMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3/c1-14-13-18(11-10-17(14)2)9-8-16-12-15-6-4-3-5-7-15/h14-16H,3-13H2,1-2H3.
What are the key properties of N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine has a molecular weight of 253.43 g/mol, XLogP of 1.79, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(3,4-dimethylpiperazin-1-yl)ethanamine is sourced from PubChem (CID 55216809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).