N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine

C12H24N2 — CID 176601289

IUPACN-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
SMILESCC1CCNC1CN(C(C)C)C1CC1
InChIInChI=1S/C12H24N2/c1-9(2)14(11-4-5-11)8-12-10(3)6-7-13-12/h9-13H,4-8H2,1-3H3
InChIKeyZKOGPHWYQQFYSE-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds4

About N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine

N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine (PubChem CID 176601289) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine.

Molecular Properties

Compound NameN-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
PubChem CID176601289
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine
SMILESCC1CCNC1CN(C(C)C)C1CC1
InChIInChI=1S/C12H24N2/c1-9(2)14(11-4-5-11)8-12-10(3)6-7-13-12/h9-13H,4-8H2,1-3H3
InChIKeyZKOGPHWYQQFYSE-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylcyclopropanamine
CID 176601349
N,N-dimethyl-1-(3-methylpyrrolidin-2-yl)methanamine
CID 103846085
N,2-dimethyl-N-[(3-methylpyrrolidin-2-yl)methyl]propan-1-amine
CID 102775601
N-methyl-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107068970
1-cyclopropyl-N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine
CID 102775636
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]cyclopentanamine
CID 102775591
N-(cyclopropylmethyl)-N-[(3-methylpiperidin-2-yl)methyl]propan-2-amine
CID 107069115
[(3-methylpyrrolidin-2-yl)methyl-propan-2-ylamino]methyl formate
CID 176601662
N,2-dimethyl-N-[(3-methylpiperidin-2-yl)methyl]propan-1-amine
CID 107069000
2-methyl-N-[2-(3-methylpyrrolidin-2-yl)ethyl]-N-propan-2-ylpropan-1-amine
CID 176601781
N-methyl-N-[(3-methylpyrrolidin-2-yl)methyl]ethanamine;molecular hydrogen
CID 170747493
2-[[cyclopropyl(propan-2-yl)amino]methyl]pyrrolidine-3-thione
CID 176601985

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine?
The IUPAC name of N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine (CID 176601289) is N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine.
What is the SMILES notation for N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine?
The canonical SMILES for N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine is CC1CCNC1CN(C(C)C)C1CC1.
What is the InChIKey of N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine?
The InChIKey is ZKOGPHWYQQFYSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-9(2)14(11-4-5-11)8-12-10(3)6-7-13-12/h9-13H,4-8H2,1-3H3.
What are the key properties of N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine?
N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine has a molecular weight of 196.34 g/mol, XLogP of 1.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylpyrrolidin-2-yl)methyl]-N-propan-2-ylcyclopropanamine is sourced from PubChem (CID 176601289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).