N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

C13H26N2 — CID 104979274

IUPACN-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(C)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-11(2)9-15(13-6-7-13)10-12-5-4-8-14-12/h11-14H,3-10H2,1-2H3
InChIKeyMRIKZPQFHHLUNJ-UHFFFAOYSA-N
MW210.36 g/mol
LogP2.25
Rot. Bonds6

About N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine

N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (PubChem CID 104979274) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
PubChem CID104979274
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
SMILESCCC(C)CN(CC1CCCN1)C1CC1
InChIInChI=1S/C13H26N2/c1-3-11(2)9-15(13-6-7-13)10-12-5-4-8-14-12/h11-14H,3-10H2,1-2H3
InChIKeyMRIKZPQFHHLUNJ-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[cyclopropyl(pyrrolidin-2-ylmethyl)amino]propane-1,2-diol
CID 106599810
N-(2-ethylhexyl)-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631447
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cyclohexan-1-amine
CID 106604377
N-(cyclopropylmethyl)-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604544
N-butyl-4-propan-2-yl-N-(pyrrolidin-2-ylmethyl)cycloheptan-1-amine
CID 106604985
N-methyl-N-[[(2S)-pyrrolidin-2-yl]methyl]butan-2-amine
CID 104870141
N-propyl-N-(pyrrolidin-2-ylmethyl)cyclohexanamine
CID 106603994
N-but-2-ynyl-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599846
N-(3,3-diethoxypropyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599695
N-ethyl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 43274680
N-(2-fluoroethyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599783
N-propan-2-yl-N-(pyrrolidin-2-ylmethyl)butan-2-amine
CID 106603221

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine (CID 104979274) is N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is CCC(C)CN(CC1CCCN1)C1CC1.
What is the InChIKey of N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
The InChIKey is MRIKZPQFHHLUNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2/c1-3-11(2)9-15(13-6-7-13)10-12-5-4-8-14-12/h11-14H,3-10H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine?
N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine has a molecular weight of 210.36 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-N-(pyrrolidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 104979274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).