N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine

C14H28N2 — CID 62437767

IUPACN-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCC1CCCN(C(CNC2CC2)C(C)C)C1
InChIInChI=1S/C14H28N2/c1-11(2)14(9-15-13-6-7-13)16-8-4-5-12(3)10-16/h11-15H,4-10H2,1-3H3
InChIKeyNRNSEIGWAQFZDR-UHFFFAOYSA-N
MW224.39 g/mol
LogP2.49
Rot. Bonds5

About N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine

N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine (PubChem CID 62437767) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
PubChem CID62437767
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC NameN-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine
SMILESCC1CCCN(C(CNC2CC2)C(C)C)C1
InChIInChI=1S/C14H28N2/c1-11(2)14(9-15-13-6-7-13)16-8-4-5-12(3)10-16/h11-15H,4-10H2,1-3H3
InChIKeyNRNSEIGWAQFZDR-UHFFFAOYSA-N
XLogP2.49
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methoxypiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 102968127
N-[3-methyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butyl]cyclopropanamine
CID 63167031
N-[2-(4-methylazepan-1-yl)propyl]cyclopropanamine
CID 63625080
N-[4-(3-methylpiperidin-1-yl)pentyl]cyclopropanamine
CID 62437779
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-[2-(4-tert-butylpiperidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62413695
N-[2-(2-cyclopentylpyrrolidin-1-yl)-3-methylbutyl]cyclopropanamine
CID 62431505
N-[2-(4-methylazepan-1-yl)propyl]cyclohexanamine
CID 63627376
1-N-(3-methyl-2-pyrrolidin-1-ylbutyl)cyclobutane-1,3-diamine
CID 80559918
N-[[(2S)-2-[(3R)-3-methylpiperidin-1-yl]propyl]sulfamoyl]cyclopropanamine
CID 97352590
N-(2-piperidin-1-ylpropyl)cyclopropanamine
CID 62424338

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine?
The IUPAC name of N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine (CID 62437767) is N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine is CC1CCCN(C(CNC2CC2)C(C)C)C1.
What is the InChIKey of N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine?
The InChIKey is NRNSEIGWAQFZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2/c1-11(2)14(9-15-13-6-7-13)16-8-4-5-12(3)10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine?
N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine has a molecular weight of 224.39 g/mol, XLogP of 2.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-2-(3-methylpiperidin-1-yl)butyl]cyclopropanamine is sourced from PubChem (CID 62437767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).