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

C17H36N2 — CID 83995616

IUPACN-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)CCNC1CC(C(C)C)CN(CC(C)C)C1
InChIInChI=1S/C17H36N2/c1-13(2)7-8-18-17-9-16(15(5)6)11-19(12-17)10-14(3)4/h13-18H,7-12H2,1-6H3
InChIKeyITJFHVRJHPPLIY-UHFFFAOYSA-N
MW268.49 g/mol
LogP3.62
Rot. Bonds7

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

N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine (PubChem CID 83995616) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine.

Molecular Properties

Compound NameN-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
PubChem CID83995616
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
SMILESCC(C)CCNC1CC(C(C)C)CN(CC(C)C)C1
InChIInChI=1S/C17H36N2/c1-13(2)7-8-18-17-9-16(15(5)6)11-19(12-17)10-14(3)4/h13-18H,7-12H2,1-6H3
InChIKeyITJFHVRJHPPLIY-UHFFFAOYSA-N
XLogP3.62
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.49
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylpropyl)-5-propan-2-yl-N-propylpiperidin-3-amine
CID 83990880
2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetonitrile
CID 83996109
N-(cyclobutylmethyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine
CID 83996998
ethyl 2-[3-(3-methylbutylamino)-5-propan-2-ylpiperidin-1-yl]acetate
CID 83996101
2-[3-(1-hydroxyethyl)-5-(3-methylbutylamino)piperidin-1-yl]acetic acid
CID 83996085
1-ethyl-N-methyl-5-propan-2-ylpiperidin-3-amine
CID 83989562
1-[5-(2,2-difluoroethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83992859
1-[5-(cyclopentylmethylamino)-1-(2-methylpropyl)piperidin-3-yl]propan-1-ol
CID 83997701
1-(cyclopropylmethyl)-5-methyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995984
1-(cyclopropylmethyl)-5-ethyl-N-(3-methylbutyl)piperidin-3-amine
CID 83995985
N-[5-(1-hydroxyethyl)-1-(2-methylpropyl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 112542165
1-(cyclopropylmethyl)-N-(2,2-difluoroethyl)-5-propan-2-ylpiperidin-3-amine
CID 83993221

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The IUPAC name of N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine (CID 83995616) is N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine.
What is the SMILES notation for N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The canonical SMILES for N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine is CC(C)CCNC1CC(C(C)C)CN(CC(C)C)C1.
What is the InChIKey of N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
The InChIKey is ITJFHVRJHPPLIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2/c1-13(2)7-8-18-17-9-16(15(5)6)11-19(12-17)10-14(3)4/h13-18H,7-12H2,1-6H3.
What are the key properties of N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine?
N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine has a molecular weight of 268.49 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1-(2-methylpropyl)-5-propan-2-ylpiperidin-3-amine is sourced from PubChem (CID 83995616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).