(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine

C18H36N4 — CID 159003358

IUPAC(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
SMILESCC1CN2CCCC2(CN)C1.CC1CN2CCCC2(CN)C1
InChIInChI=1S/2C9H18N2/c2*1-8-5-9(7-10)3-2-4-11(9)6-8/h2*8H,2-7,10H2,1H3
InChIKeyJRPQNKMBVXKDNK-UHFFFAOYSA-N
MW308.51 g/mol
LogP1.64
Rot. Bonds2

About (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine

(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine (PubChem CID 159003358) has the molecular formula C18H36N4 and a molecular weight of 308.51 g/mol. Its IUPAC name is (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine.

Molecular Properties

Compound Name(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
PubChem CID159003358
Molecular FormulaC18H36N4
Molecular Weight308.51 g/mol
Exact Mass308.29
IUPAC Name(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine
SMILESCC1CN2CCCC2(CN)C1.CC1CN2CCCC2(CN)C1
InChIInChI=1S/2C9H18N2/c2*1-8-5-9(7-10)3-2-4-11(9)6-8/h2*8H,2-7,10H2,1H3
InChIKeyJRPQNKMBVXKDNK-UHFFFAOYSA-N
XLogP1.64
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3-methyl-1-pyrrolidin-1-ylcyclohexyl)methanamine
CID 24695310
(2R,8S)-2-methyl-8-(propan-2-yloxymethyl)-1,2,3,5,6,7-hexahydropyrrolizine
CID 167196327
[(2S,8R)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methanamine
CID 118109110
[1-(azocan-1-yl)-3-methylcyclopentyl]methanamine
CID 64501768
1-[1-(aminomethyl)-3-methylcyclohexyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166157
[3-(2-methylpropyl)-1-(3-methylpyrrolidin-1-yl)cyclohexyl]methanamine
CID 107428957
[4-(3-methylpyrrolidin-1-yl)-1-propan-2-ylazepan-4-yl]methanamine
CID 65078662
[1-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)-3-methylcyclohexyl]methanamine
CID 79941371
[1-(3-methylpyrrolidin-1-yl)-3-(trifluoromethyl)cyclohexyl]methanamine
CID 64757805
[1-(4,4-dimethylpiperidin-1-yl)-3-methylcyclopentyl]methanamine
CID 64500940
[3-methyl-1-(4-methyl-1,4-diazepan-1-yl)cyclohexyl]methanamine
CID 43209340
2-[8-(aminomethyl)-1,2,3,5,6,7-hexahydropyrrolizin-2-yl]ethanethiol
CID 145086025

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The IUPAC name of (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine (CID 159003358) is (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine.
What is the SMILES notation for (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The canonical SMILES for (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine is CC1CN2CCCC2(CN)C1.CC1CN2CCCC2(CN)C1.
What is the InChIKey of (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
The InChIKey is JRPQNKMBVXKDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H18N2/c2*1-8-5-9(7-10)3-2-4-11(9)6-8/h2*8H,2-7,10H2,1H3.
What are the key properties of (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine?
(2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine has a molecular weight of 308.51 g/mol, XLogP of 1.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,2,3,5,6,7-hexahydropyrrolizin-8-yl)methanamine is sourced from PubChem (CID 159003358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).