N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

C18H35N3 — CID 62561801

IUPACN-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESC1CCN(C2CCN(CCNCC3CCCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-4-11-21(12-5-1)18-8-13-20(14-9-18)15-10-19-16-17-6-2-3-7-17/h17-19H,1-16H2
InChIKeyBIIWXTCVYUELNJ-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.72
Rot. Bonds6

About N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine

N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (PubChem CID 62561801) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
PubChem CID62561801
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC NameN-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
SMILESC1CCN(C2CCN(CCNCC3CCCC3)CC2)CC1
InChIInChI=1S/C18H35N3/c1-4-11-21(12-5-1)18-8-13-20(14-9-18)15-10-19-16-17-6-2-3-7-17/h17-19H,1-16H2
InChIKeyBIIWXTCVYUELNJ-UHFFFAOYSA-N
XLogP2.72
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.72
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-(cyclohexylmethyl)-2-[4-(cyclopropylmethyl)piperazin-1-yl]ethanamine
CID 62557787
N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]cyclohexanamine
CID 62574223
N-(cyclohexylmethyl)-2-morpholin-4-ylethanamine
CID 3155090
N-(cyclopentylmethyl)-2-thiomorpholin-4-ylethanamine
CID 62574718
N-(cyclopentylmethyl)-2-[4-(methoxymethyl)piperidin-1-yl]ethanamine
CID 63979713
N-(2-methylsulfonylethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine
CID 62561653
2-methyl-N-[2-(4-piperidin-1-ylpiperidin-1-yl)ethyl]propan-2-amine
CID 61387313
N-(cyclohexylmethyl)-2-(4-ethyl-4-methylpiperidin-1-yl)ethanamine
CID 55196456
N-(cyclopropylmethyl)-2-(3-morpholin-4-ylpyrrolidin-1-yl)ethanamine
CID 55159927
2-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-N-(cyclopropylmethyl)ethanamine
CID 55024318
2-(3-azaspiro[5.5]undecan-3-yl)-N-(cyclopropylmethyl)ethanamine
CID 62932691
N-[2-[1-[2-(cyclohexylmethylamino)ethyl]pyrrolidin-3-yl]ethyl]cyclopropanamine
CID 83963231

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The IUPAC name of N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine (CID 62561801) is N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine.
What is the SMILES notation for N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The canonical SMILES for N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is C1CCN(C2CCN(CCNCC3CCCC3)CC2)CC1.
What is the InChIKey of N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
The InChIKey is BIIWXTCVYUELNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-4-11-21(12-5-1)18-8-13-20(14-9-18)15-10-19-16-17-6-2-3-7-17/h17-19H,1-16H2.
What are the key properties of N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine?
N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine has a molecular weight of 293.50 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-2-(4-piperidin-1-ylpiperidin-1-yl)ethanamine is sourced from PubChem (CID 62561801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).