1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

C17H27N3 — CID 82853847

IUPAC1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C17H27N3/c1-14-6-3-4-7-15(14)12-19(2)17(13-18)9-11-20-10-5-8-16(17)20/h3-4,6-7,16H,5,8-13,18H2,1-2H3
InChIKeyRSLAIFWRUHFWPD-UHFFFAOYSA-N
MW273.42 g/mol
LogP1.99
Rot. Bonds4

About 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine

1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (PubChem CID 82853847) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
PubChem CID82853847
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
SMILESCc1ccccc1CN(C)C1(CN)CCN2CCCC21
InChIInChI=1S/C17H27N3/c1-14-6-3-4-7-15(14)12-19(2)17(13-18)9-11-20-10-5-8-16(17)20/h3-4,6-7,16H,5,8-13,18H2,1-2H3
InChIKeyRSLAIFWRUHFWPD-UHFFFAOYSA-N
XLogP1.99
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-(aminomethyl)-2-methoxy-N-methyl-N-[(2-methylphenyl)methyl]cyclohexan-1-amine
CID 106872252
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2-methylsulfonylcyclopentan-1-amine
CID 65046188
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-ethyl-N-(furan-2-ylmethyl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853318
4-(aminomethyl)-1-ethyl-N-methyl-N-[(2-methylphenyl)methyl]piperidin-4-amine
CID 61411927
1-(aminomethyl)-N,4-dimethyl-N-[(2-methylphenyl)methyl]cycloheptan-1-amine
CID 65084666
1-(aminomethyl)-N-methyl-N-(3-methylbutan-2-yl)-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853755
1-(aminomethyl)-N-butan-2-yl-N-methyl-2,3,5,6,7,8-hexahydropyrrolizin-1-amine
CID 82853930
1-(aminomethyl)-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclopentan-1-amine
CID 64501771
1-[(2,6-dimethylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-ol
CID 82856895

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The IUPAC name of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine (CID 82853847) is 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is Cc1ccccc1CN(C)C1(CN)CCN2CCCC21.
What is the InChIKey of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
The InChIKey is RSLAIFWRUHFWPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-14-6-3-4-7-15(14)12-19(2)17(13-18)9-11-20-10-5-8-16(17)20/h3-4,6-7,16H,5,8-13,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine?
1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine has a molecular weight of 273.42 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-methyl-N-[(2-methylphenyl)methyl]-2,3,5,6,7,8-hexahydropyrrolizin-1-amine is sourced from PubChem (CID 82853847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).