3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

C13H27N3 — CID 62975286

IUPAC3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(CC1CC1)C1(CN)CCN(C)C1
InChIInChI=1S/C13H27N3/c1-11(2)16(8-12-4-5-12)13(9-14)6-7-15(3)10-13/h11-12H,4-10,14H2,1-3H3
InChIKeyKMCJATDVIJXXIQ-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.14
Rot. Bonds5

About 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine

3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (PubChem CID 62975286) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.

Molecular Properties

Compound Name3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
PubChem CID62975286
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine
SMILESCC(C)N(CC1CC1)C1(CN)CCN(C)C1
InChIInChI=1S/C13H27N3/c1-11(2)16(8-12-4-5-12)13(9-14)6-7-15(3)10-13/h11-12H,4-10,14H2,1-3H3
InChIKeyKMCJATDVIJXXIQ-UHFFFAOYSA-N
XLogP1.14
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N,1-dimethyl-N-[(1-methylpiperidin-4-yl)methyl]pyrrolidin-3-amine
CID 55175188
3-(aminomethyl)-N-(2-methoxyethyl)-1-methyl-N-propan-2-ylpiperidin-3-amine
CID 82948380
3-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylpyrrolidin-3-amine
CID 62977308
3-(aminomethyl)-N-cycloheptyl-N,1-dimethylpyrrolidin-3-amine
CID 62975279
2-N-[3-(aminomethyl)-1-methylpiperidin-3-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188053
4-(aminomethyl)-1-methyl-N-pentyl-N-propan-2-ylazepan-4-amine
CID 65075464
1-(aminomethyl)-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylcyclohexan-1-amine
CID 63233140
4-(aminomethyl)-N-(cyclobutylmethyl)-N-ethyl-1-methylazepan-4-amine
CID 107397807
4-(aminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1-propan-2-ylpiperidin-4-amine
CID 62547640
4-(aminomethyl)-N-(cyclopropylmethyl)-N-ethyl-1-propylpiperidin-4-amine
CID 63955749
4-(aminomethyl)-N-cyclopropyl-N-ethyl-1-methylazepan-4-amine
CID 65075349
3-(aminomethyl)-N-(2-ethoxyethyl)-N,1-dimethylpyrrolidin-3-amine
CID 81059404

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The IUPAC name of 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine (CID 62975286) is 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine.
What is the SMILES notation for 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The canonical SMILES for 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is CC(C)N(CC1CC1)C1(CN)CCN(C)C1.
What is the InChIKey of 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
The InChIKey is KMCJATDVIJXXIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-11(2)16(8-12-4-5-12)13(9-14)6-7-15(3)10-13/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine?
3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine has a molecular weight of 225.38 g/mol, XLogP of 1.14, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-(cyclopropylmethyl)-1-methyl-N-propan-2-ylpyrrolidin-3-amine is sourced from PubChem (CID 62975286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).