N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine

C16H32N2 — CID 78975359

IUPACN-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
SMILESCC(C)CCN(CCCC1CCCNC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)9-12-18(16-7-8-16)11-4-6-15-5-3-10-17-13-15/h14-17H,3-13H2,1-2H3
InChIKeyNSOBVHUNHAFAPZ-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds8

About N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine

N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine (PubChem CID 78975359) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
PubChem CID78975359
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC NameN-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine
SMILESCC(C)CCN(CCCC1CCCNC1)C1CC1
InChIInChI=1S/C16H32N2/c1-14(2)9-12-18(16-7-8-16)11-4-6-15-5-3-10-17-13-15/h14-17H,3-13H2,1-2H3
InChIKeyNSOBVHUNHAFAPZ-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-methylbutyl)piperidine
CID 53409753
N-(cyclobutylmethyl)-N-methyl-3-piperidin-3-ylpropan-1-amine
CID 62861568
3-[2-(3-methylbutoxy)ethyl]piperidine
CID 53409519
(3R)-3-[2-(3-methylbutoxy)ethyl]piperidine
CID 86320703
N,N,N'-trimethyl-N'-(3-piperidin-3-ylpropyl)propane-1,3-diamine
CID 63699039
N-hexyl-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624769
N,N-bis(3-methylbutyl)azetidin-3-amine
CID 102672532
5-[cyclopropyl(3-methylbutyl)amino]pentan-2-one
CID 78974221
N'-cyclopropyl-N'-(3-methylbutyl)-N-propan-2-ylhexane-1,6-diamine
CID 78967616
1-N-cyclopropyl-4-N-ethyl-1-N-(3-methylbutyl)pentane-1,4-diamine
CID 78977536
N-methyl-2-(3-methylbutoxy)-N-(piperidin-3-ylmethyl)ethanamine
CID 106636675
6-[cyclopropyl(piperidin-3-ylmethyl)amino]hexan-1-ol
CID 107705718

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine?
The IUPAC name of N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine (CID 78975359) is N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine?
The canonical SMILES for N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine is CC(C)CCN(CCCC1CCCNC1)C1CC1.
What is the InChIKey of N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine?
The InChIKey is NSOBVHUNHAFAPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-14(2)9-12-18(16-7-8-16)11-4-6-15-5-3-10-17-13-15/h14-17H,3-13H2,1-2H3.
What are the key properties of N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine?
N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine has a molecular weight of 252.45 g/mol, XLogP of 3.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-N-(3-piperidin-3-ylpropyl)cyclopropanamine is sourced from PubChem (CID 78975359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).