N,3-di(propan-2-yl)naphthalen-1-amine

C16H21N — CID 58012665

IUPACN,3-di(propan-2-yl)naphthalen-1-amine
SMILESCC(C)Nc1cc(C(C)C)cc2ccccc12
InChIInChI=1S/C16H21N/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)17-12(3)4/h5-12,17H,1-4H3
InChIKeyGCTZIHJKEHHJNB-UHFFFAOYSA-N
MW227.35 g/mol
LogP4.78
Rot. Bonds3

About N,3-di(propan-2-yl)naphthalen-1-amine

N,3-di(propan-2-yl)naphthalen-1-amine (PubChem CID 58012665) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N,3-di(propan-2-yl)naphthalen-1-amine.

Molecular Properties

Compound NameN,3-di(propan-2-yl)naphthalen-1-amine
PubChem CID58012665
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN,3-di(propan-2-yl)naphthalen-1-amine
SMILESCC(C)Nc1cc(C(C)C)cc2ccccc12
InChIInChI=1S/C16H21N/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)17-12(3)4/h5-12,17H,1-4H3
InChIKeyGCTZIHJKEHHJNB-UHFFFAOYSA-N
XLogP4.78
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3-di(propan-2-yl)naphthalen-1-amine?
The IUPAC name of N,3-di(propan-2-yl)naphthalen-1-amine (CID 58012665) is N,3-di(propan-2-yl)naphthalen-1-amine.
What is the SMILES notation for N,3-di(propan-2-yl)naphthalen-1-amine?
The canonical SMILES for N,3-di(propan-2-yl)naphthalen-1-amine is CC(C)Nc1cc(C(C)C)cc2ccccc12.
What is the InChIKey of N,3-di(propan-2-yl)naphthalen-1-amine?
The InChIKey is GCTZIHJKEHHJNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-11(2)14-9-13-7-5-6-8-15(13)16(10-14)17-12(3)4/h5-12,17H,1-4H3.
What are the key properties of N,3-di(propan-2-yl)naphthalen-1-amine?
N,3-di(propan-2-yl)naphthalen-1-amine has a molecular weight of 227.35 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-di(propan-2-yl)naphthalen-1-amine is sourced from PubChem (CID 58012665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).