5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine

C17H34N2 — CID 83995669

IUPAC5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)CCNC1CC(CC2CC2)CN(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)7-8-18-17-10-16(9-15-5-6-15)11-19(12-17)14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyDUYHWCYLFQTKTK-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds7

About 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine

5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 83995669) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID83995669
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)CCNC1CC(CC2CC2)CN(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)7-8-18-17-10-16(9-15-5-6-15)11-19(12-17)14(3)4/h13-18H,5-12H2,1-4H3
InChIKeyDUYHWCYLFQTKTK-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285
1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83996007
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83990284
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
1-butan-2-yl-5-(2,2-dimethylpropyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83995888
2-[1-butan-2-yl-5-(3-methylbutylamino)piperidin-3-yl]ethanol
CID 83995891
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
1-cyclopropyl-2-[5-(2-methylpropylamino)-1-propan-2-ylpiperidin-3-yl]ethanol
CID 83994301
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047
N-ethyl-1-propan-2-yl-5-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83990301

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine (CID 83995669) is 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine is CC(C)CCNC1CC(CC2CC2)CN(C(C)C)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is DUYHWCYLFQTKTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)7-8-18-17-10-16(9-15-5-6-15)11-19(12-17)14(3)4/h13-18H,5-12H2,1-4H3.
What are the key properties of 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine?
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83995669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).