4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine

C15H27N — CID 123734212

IUPAC4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine
SMILESCCCC1C(C)CC=C2CC(N)CCC21C
InChIInChI=1S/C15H27N/c1-4-5-14-11(2)6-7-12-10-13(16)8-9-15(12,14)3/h7,11,13-14H,4-6,8-10,16H2,1-3H3
InChIKeyMCDOVJOLSILRLJ-UHFFFAOYSA-N
MW221.39 g/mol
LogP3.89
Rot. Bonds2

About 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine

4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine (PubChem CID 123734212) has the molecular formula C15H27N and a molecular weight of 221.39 g/mol. Its IUPAC name is 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine.

Molecular Properties

Compound Name4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine
PubChem CID123734212
Molecular FormulaC15H27N
Molecular Weight221.39 g/mol
Exact Mass221.21
IUPAC Name4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine
SMILESCCCC1C(C)CC=C2CC(N)CCC21C
InChIInChI=1S/C15H27N/c1-4-5-14-11(2)6-7-12-10-13(16)8-9-15(12,14)3/h7,11,13-14H,4-6,8-10,16H2,1-3H3
InChIKeyMCDOVJOLSILRLJ-UHFFFAOYSA-N
XLogP3.89
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.39
LogP ≤ 53.89
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 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine?
The IUPAC name of 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine (CID 123734212) is 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine.
What is the SMILES notation for 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine?
The canonical SMILES for 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine is CCCC1C(C)CC=C2CC(N)CCC21C.
What is the InChIKey of 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine?
The InChIKey is MCDOVJOLSILRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N/c1-4-5-14-11(2)6-7-12-10-13(16)8-9-15(12,14)3/h7,11,13-14H,4-6,8-10,16H2,1-3H3.
What are the key properties of 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine?
4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine has a molecular weight of 221.39 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4a,6-dimethyl-5-propyl-2,3,4,5,6,7-hexahydro-1H-naphthalen-2-amine is sourced from PubChem (CID 123734212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).