N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine

C17H34N2 — CID 62413695

IUPACN-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16(12-18-15-6-7-15)19-10-8-14(9-11-19)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyOKEZILIKKDKXKA-UHFFFAOYSA-N
MW266.47 g/mol
LogP3.52
Rot. Bonds5

About N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine

N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine (PubChem CID 62413695) has the molecular formula C17H34N2 and a molecular weight of 266.47 g/mol. Its IUPAC name is N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
PubChem CID62413695
Molecular FormulaC17H34N2
Molecular Weight266.47 g/mol
Exact Mass266.27
IUPAC NameN-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
SMILESCC(C)C(CNC1CC1)N1CCC(C(C)(C)C)CC1
InChIInChI=1S/C17H34N2/c1-13(2)16(12-18-15-6-7-15)19-10-8-14(9-11-19)17(3,4)5/h13-16,18H,6-12H2,1-5H3
InChIKeyOKEZILIKKDKXKA-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

2-(4-tert-butylpiperidin-1-yl)-N-ethyl-3-methylbutan-1-amine
CID 62413694
4-tert-butyl-N-(2,3-dimethylbutyl)cyclohexan-1-amine
CID 64570673
N-[2-(4,4-dimethylazepan-1-yl)-3-methylbutyl]cyclopropanamine
CID 65286954
N-(3-methyl-2-pyrrolidin-1-ylbutyl)piperidin-4-amine
CID 54902639
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
CID 62437767
4-tert-butyl-N-(2-methylsulfinylpropyl)cyclohexan-1-amine
CID 115763856
4-tert-butyl-N-(2,3-dimethylbutyl)cycloheptan-1-amine
CID 65089746
N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127
3-N-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]cyclopentane-1,3-diamine
CID 79461682
N-[2-(4-tert-butylpiperidin-1-yl)propyl]butan-2-amine
CID 62569931
3-amino-2-(4-tert-butylpiperidin-1-yl)butan-1-ol
CID 64898727

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The IUPAC name of N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine (CID 62413695) is N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine.
What is the SMILES notation for N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The canonical SMILES for N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine is CC(C)C(CNC1CC1)N1CCC(C(C)(C)C)CC1.
What is the InChIKey of N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
The InChIKey is OKEZILIKKDKXKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2/c1-13(2)16(12-18-15-6-7-15)19-10-8-14(9-11-19)17(3,4)5/h13-16,18H,6-12H2,1-5H3.
What are the key properties of N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine?
N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine 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 N-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine is sourced from PubChem (CID 62413695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).