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

C17H34N2 — CID 83994977

IUPAC5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(CC2CC2)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)19-10-15(8-14-6-7-14)9-16(11-19)18-12-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyWRPVIOAKQZMAEU-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

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

5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine (PubChem CID 83994977) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
PubChem CID83994977
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC Name5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
SMILESCC(C)N1CC(CC2CC2)CC(NCC(C)(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)19-10-15(8-14-6-7-14)9-16(11-19)18-12-17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyWRPVIOAKQZMAEU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83990284
5-(cyclopropylmethyl)-N-(2-methylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83994285
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83994925
5-(cyclopropylmethyl)-N-(3-methylbutyl)-1-propan-2-ylpiperidin-3-amine
CID 83995669
1,5-bis(cyclopropylmethyl)-N-(2,2-dimethylpropyl)piperidin-3-amine
CID 83995297
N-(cyclopentylmethyl)-5-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine
CID 83997744
2-[1-(1-cyclobutylethyl)-5-(2,2-dimethylpropylamino)piperidin-3-yl]ethanol
CID 83995340
5-methyl-1-propan-2-yl-N-(2,2,2-trifluoroethyl)piperidin-3-amine
CID 83992203
1-(1-cyclopropylethyl)-5-(cyclopropylmethyl)-N-(3-methylbutyl)piperidin-3-amine
CID 83996007
2-[1-propan-2-yl-5-(2,2,2-trifluoroethylamino)piperidin-3-yl]acetic acid
CID 83992214
1-(1-cyclobutylethyl)-N-(2,2-dimethylpropyl)-5-methylpiperidin-3-amine
CID 83995335
N-(cyclobutylmethyl)-5-ethyl-1-propan-2-ylpiperidin-3-amine
CID 83997047

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The IUPAC name of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine (CID 83994977) is 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The canonical SMILES for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine is CC(C)N1CC(CC2CC2)CC(NCC(C)(C)C)C1.
What is the InChIKey of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
The InChIKey is WRPVIOAKQZMAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)19-10-15(8-14-6-7-14)9-16(11-19)18-12-17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine?
5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-N-(2,2-dimethylpropyl)-1-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83994977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).