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

C19H36N2 — CID 83996007

IUPAC1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CC(CC2CC2)CN(C(C)C2CC2)C1
InChIInChI=1S/C19H36N2/c1-14(2)8-9-20-19-11-17(10-16-4-5-16)12-21(13-19)15(3)18-6-7-18/h14-20H,4-13H2,1-3H3
InChIKeyPQHBXRYIPMBPDZ-UHFFFAOYSA-N
MW292.51 g/mol
LogP3.91
Rot. Bonds8

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

1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine (PubChem CID 83996007) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
PubChem CID83996007
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
SMILESCC(C)CCNC1CC(CC2CC2)CN(C(C)C2CC2)C1
InChIInChI=1S/C19H36N2/c1-14(2)8-9-20-19-11-17(10-16-4-5-16)12-21(13-19)15(3)18-6-7-18/h14-20H,4-13H2,1-3H3
InChIKeyPQHBXRYIPMBPDZ-UHFFFAOYSA-N
XLogP3.91
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
N-[1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)piperidin-3-yl]acetamide
CID 112541988
5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285
methyl 1-(1-cyclopropylethyl)-5-(3-methylbutylamino)piperidine-3-carboxylate
CID 83996009
5-(cyclopropylmethyl)-N-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83990284
5-butyl-1-(1-cyclopropylethyl)-N-ethylpiperidin-3-amine
CID 83990582
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994977
3-[1-(1-cyclopropylethyl)-5-(ethylamino)piperidin-3-yl]propan-1-ol
CID 83990589
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
2-[5-(3-methylbutylamino)-1-propan-2-ylpiperidin-3-yl]acetic acid
CID 83995675
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

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine?
The IUPAC name of 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine (CID 83996007) is 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine.
What is the SMILES notation for 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine?
The canonical SMILES for 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine is CC(C)CCNC1CC(CC2CC2)CN(C(C)C2CC2)C1.
What is the InChIKey of 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine?
The InChIKey is PQHBXRYIPMBPDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2/c1-14(2)8-9-20-19-11-17(10-16-4-5-16)12-21(13-19)15(3)18-6-7-18/h14-20H,4-13H2,1-3H3.
What are the key properties of 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine?
1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine has a molecular weight of 292.51 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine is sourced from PubChem (CID 83996007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).