2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

C15H22N2 — CID 23274482

IUPAC2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCNC12CCC(CN)CC1Cc1ccccc12
InChIInChI=1S/C15H22N2/c1-17-15-7-6-11(10-16)8-13(15)9-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10,16H2,1H3
InChIKeyULGXUEJWMBWTEL-UHFFFAOYSA-N
MW230.35 g/mol
LogP2.03
Rot. Bonds2

About 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine

2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (PubChem CID 23274482) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
PubChem CID23274482
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine
SMILESCNC12CCC(CN)CC1Cc1ccccc12
InChIInChI=1S/C15H22N2/c1-17-15-7-6-11(10-16)8-13(15)9-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10,16H2,1H3
InChIKeyULGXUEJWMBWTEL-UHFFFAOYSA-N
XLogP2.03
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The IUPAC name of 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine (CID 23274482) is 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The canonical SMILES for 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is CNC12CCC(CN)CC1Cc1ccccc12.
What is the InChIKey of 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
The InChIKey is ULGXUEJWMBWTEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-17-15-7-6-11(10-16)8-13(15)9-12-4-2-3-5-14(12)15/h2-5,11,13,17H,6-10,16H2,1H3.
What are the key properties of 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine?
2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine has a molecular weight of 230.35 g/mol, XLogP of 2.03, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-1,2,3,4,9,9a-hexahydrofluoren-4a-amine is sourced from PubChem (CID 23274482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).