N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

C16H21N — CID 19801134

IUPACN,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESCNC12CC=CCC1CC(C)c1ccccc12
InChIInChI=1S/C16H21N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3
InChIKeyDYWTYZQHULDNCR-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.57
Rot. Bonds1

About N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine

N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (PubChem CID 19801134) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.

Molecular Properties

Compound NameN,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
PubChem CID19801134
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine
SMILESCNC12CC=CCC1CC(C)c1ccccc12
InChIInChI=1S/C16H21N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3
InChIKeyDYWTYZQHULDNCR-UHFFFAOYSA-N
XLogP3.57
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.57
H-Bond Donors ≤ 51
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,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The IUPAC name of N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine (CID 19801134) is N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine.
What is the SMILES notation for N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The canonical SMILES for N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is CNC12CC=CCC1CC(C)c1ccccc12.
What is the InChIKey of N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
The InChIKey is DYWTYZQHULDNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-12-11-13-7-5-6-10-16(13,17-2)15-9-4-3-8-14(12)15/h3-6,8-9,12-13,17H,7,10-11H2,1-2H3.
What are the key properties of N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine?
N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine has a molecular weight of 227.35 g/mol, XLogP of 3.57, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,9-dimethyl-4,9,10,10a-tetrahydro-1H-phenanthren-4a-amine is sourced from PubChem (CID 19801134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).