N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine

C17H34N2 — CID 83996998

IUPACN-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)CN1CC(NCC2CCC2)CC(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)10-19-11-16(14(3)4)8-17(12-19)18-9-15-6-5-7-15/h13-18H,5-12H2,1-4H3
InChIKeyAELDOKWFOPPURB-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.38
Rot. Bonds6

About N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine

N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine (PubChem CID 83996998) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
PubChem CID83996998
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)CN1CC(NCC2CCC2)CC(C(C)C)C1
InChIInChI=1S/C17H34N2/c1-13(2)10-19-11-16(14(3)4)8-17(12-19)18-9-15-6-5-7-15/h13-18H,5-12H2,1-4H3
InChIKeyAELDOKWFOPPURB-UHFFFAOYSA-N
XLogP3.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.47
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
N-(cyclopentylmethyl)-5-methyl-1-(2-methylpropyl)piperidin-3-amine
CID 83997686
2-[3-(cyclopentylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetic acid
CID 83998151
N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83995616
N-(cyclopentylmethyl)-5-(cyclopropylmethyl)-1-(2-methylpropyl)piperidin-3-amine
CID 83997691
1-(2-methylpropyl)-5-propan-2-yl-N-propylpiperidin-3-amine
CID 83990880
N-(cyclobutylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 115713249
methyl 5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidine-3-carboxylate
CID 83997694
methyl 2-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996782
3-[3-(cyclopropylmethylamino)-5-propan-2-ylpiperidin-1-yl]propanoic acid
CID 83996752
1-[5-(cyclohexylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]butan-2-ol
CID 83998394
1-[1-(cyclobutylmethyl)-5-(cyclopropylmethylamino)piperidin-3-yl]propan-1-ol
CID 83996736

Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The IUPAC name of N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine (CID 83996998) is N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The canonical SMILES for N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine is CC(C)CN1CC(NCC2CCC2)CC(C(C)C)C1.
What is the InChIKey of N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The InChIKey is AELDOKWFOPPURB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)10-19-11-16(14(3)4)8-17(12-19)18-9-15-6-5-7-15/h13-18H,5-12H2,1-4H3.
What are the key properties of N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine has a molecular weight of 266.47 g/mol, XLogP of 3.38, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83996998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).