1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C13H27N3 — CID 82853930

IUPAC1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCC(C)N(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C13H27N3/c1-4-11(2)15(3)13(10-14)7-9-16-8-5-6-12(13)16/h11-12H,4-10,14H2,1-3H3
InChIKeyGPJNZIBJTYPIOH-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.28
Rot. Bonds4

About 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853930) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853930
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCCC(C)N(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C13H27N3/c1-4-11(2)15(3)13(10-14)7-9-16-8-5-6-12(13)16/h11-12H,4-10,14H2,1-3H3
InChIKeyGPJNZIBJTYPIOH-UHFFFAOYSA-N
XLogP1.28
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853755
2-N-[1-(aminomethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]-2-N-ethyl-1-N,1-N-dimethylpropane-1,2-diamine
CID 103188241
1-(aminomethyl)-N-(2-methylpropyl)-N-pentan-3-yl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853588
1-(aminomethyl)-N-methyl-N-pentyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82854020
1-(aminomethyl)-N-(4-ethylphenyl)-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853157
1-(aminomethyl)-N-butan-2-yl-N,2-dimethylcyclopentan-1-amine
CID 65045613
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853847
1-(aminomethyl)-N-butan-2-yl-2-methoxy-N-methylcyclohexan-1-amine
CID 106872183
[1-(2,2-dimethylhydrazinyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-yl]methanamine
CID 83010988
1-(aminomethyl)-N-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
1-(aminomethyl)-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853076
[1-(4-propan-2-ylpiperidin-1-yl)-3,5,6,7,8,8a-hexahydro-2H-indolizin-1-yl]methanamine
CID 103494845

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853930) is 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is CCC(C)N(C)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is GPJNZIBJTYPIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-4-11(2)15(3)13(10-14)7-9-16-8-5-6-12(13)16/h11-12H,4-10,14H2,1-3H3.
What are the key properties of 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 225.38 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).