N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine

C14H22N2 — CID 104737358

IUPACN-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccnc1
InChIInChI=1S/C14H22N2/c1-11(8-13-4-3-7-15-10-13)12(2)9-16-14-5-6-14/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3
InChIKeyHSLUVROEPXYORB-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.65
Rot. Bonds6

About N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine

N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine (PubChem CID 104737358) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
PubChem CID104737358
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine
SMILESCC(CNC1CC1)C(C)Cc1cccnc1
InChIInChI=1S/C14H22N2/c1-11(8-13-4-3-7-15-10-13)12(2)9-16-14-5-6-14/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3
InChIKeyHSLUVROEPXYORB-UHFFFAOYSA-N
XLogP2.65
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-cyclopropyl-N',2-dimethyl-N'-(pyridin-3-ylmethyl)propane-1,3-diamine
CID 62433595
1-N,4-N-bis(pyridin-3-ylmethyl)cyclohexane-1,4-diamine
CID 139088209
N-[4-(3-fluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81016597
3-[2,2-di(cyclobutyl)ethyl]pyridine
CID 57256962
4,4-difluoro-N-(pyridin-3-ylmethyl)cyclohexan-1-amine
CID 126787190
N-[[4-propan-2-yl-2-(pyridin-3-ylmethyl)cyclohexyl]methyl]cyclopropanamine
CID 104737416
1-cyclopentyl-2-pyridin-3-ylethanamine
CID 62553066
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694
N-(pyridin-3-ylmethyl)thian-4-amine
CID 43394819
N-[4-(2,3-difluorophenyl)-2,3-dimethylbutyl]cyclopropanamine
CID 81015413
(1R)-1-cyclohexyl-N-(pyridin-3-ylmethyl)ethanamine
CID 81384480
1-N,3-N,5-N-tris(pyridin-3-ylmethyl)cyclohexane-1,3,5-triamine
CID 177421480

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine?
The IUPAC name of N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine (CID 104737358) is N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine?
The canonical SMILES for N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine is CC(CNC1CC1)C(C)Cc1cccnc1.
What is the InChIKey of N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine?
The InChIKey is HSLUVROEPXYORB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-11(8-13-4-3-7-15-10-13)12(2)9-16-14-5-6-14/h3-4,7,10-12,14,16H,5-6,8-9H2,1-2H3.
What are the key properties of N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine?
N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine has a molecular weight of 218.34 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dimethyl-4-pyridin-3-ylbutyl)cyclopropanamine is sourced from PubChem (CID 104737358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).