N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine

C17H27N — CID 57185905

IUPACN-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC12CCCCC1CC1=C2CC=CC1
InChIInChI=1S/C17H27N/c1-3-18(2)13-17-11-7-6-9-15(17)12-14-8-4-5-10-16(14)17/h4-5,15H,3,6-13H2,1-2H3
InChIKeyXKBBZZWHCNNIOK-UHFFFAOYSA-N
MW245.41 g/mol
LogP4.16
Rot. Bonds3

About N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine

N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine (PubChem CID 57185905) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine.

Molecular Properties

Compound NameN-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine
PubChem CID57185905
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine
SMILESCCN(C)CC12CCCCC1CC1=C2CC=CC1
InChIInChI=1S/C17H27N/c1-3-18(2)13-17-11-7-6-9-15(17)12-14-8-4-5-10-16(14)17/h4-5,15H,3,6-13H2,1-2H3
InChIKeyXKBBZZWHCNNIOK-UHFFFAOYSA-N
XLogP4.16
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine?
The IUPAC name of N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine (CID 57185905) is N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine.
What is the SMILES notation for N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine?
The canonical SMILES for N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine is CCN(C)CC12CCCCC1CC1=C2CC=CC1.
What is the InChIKey of N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine?
The InChIKey is XKBBZZWHCNNIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N/c1-3-18(2)13-17-11-7-6-9-15(17)12-14-8-4-5-10-16(14)17/h4-5,15H,3,6-13H2,1-2H3.
What are the key properties of N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine?
N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine has a molecular weight of 245.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2,3,4,5,8,9,9a-octahydrofluoren-4a-ylmethyl)-N-methylethanamine is sourced from PubChem (CID 57185905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).