1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine

C16H32N2 — CID 83995985

IUPAC1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
SMILESCCC1CC(NCCC(C)C)CN(CC2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-14-9-16(17-8-7-13(2)3)12-18(10-14)11-15-5-6-15/h13-17H,4-12H2,1-3H3
InChIKeyOMHLUKFYWXPWGH-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.13
Rot. Bonds7

About 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine

1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine (PubChem CID 83995985) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
PubChem CID83995985
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
SMILESCCC1CC(NCCC(C)C)CN(CC2CC2)C1
InChIInChI=1S/C16H32N2/c1-4-14-9-16(17-8-7-13(2)3)12-18(10-14)11-15-5-6-15/h13-17H,4-12H2,1-3H3
InChIKeyOMHLUKFYWXPWGH-UHFFFAOYSA-N
XLogP3.13
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(cyclobutylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996036
1-(cyclopentylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83996048
1-(cyclopropylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991199
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
3-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]propan-1-ol
CID 83995997
2-[1-(cyclopropylmethyl)-5-(3-methylbutylamino)piperidin-3-yl]acetic acid
CID 83995994
1-(cyclopentylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991259
1-(cyclohexylmethyl)-5-ethyl-N-propylpiperidin-3-amine
CID 83991266
ethyl 2-[3-ethyl-5-(3-methylbutylamino)piperidin-1-yl]acetate
CID 83996099
N-(cyclobutylmethyl)-1-(cyclopentylmethyl)-5-ethylpiperidin-3-amine
CID 83997430
N-[1-(cyclopropylmethyl)-5-ethylpiperidin-3-yl]acetamide
CID 112541972
1-(cyclohexylmethyl)-N-(2,2-difluoroethyl)-5-ethylpiperidin-3-amine
CID 83993289

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine?
The IUPAC name of 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine (CID 83995985) is 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine?
The canonical SMILES for 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine is CCC1CC(NCCC(C)C)CN(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine?
The InChIKey is OMHLUKFYWXPWGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-14-9-16(17-8-7-13(2)3)12-18(10-14)11-15-5-6-15/h13-17H,4-12H2,1-3H3.
What are the key properties of 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine?
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine has a molecular weight of 252.45 g/mol, XLogP of 3.13, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine is sourced from PubChem (CID 83995985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).