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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,6-di(propan-2-yl)isoquinolin-8-amine
CID 20604240
N-[(3-propan-2-ylnaphthalen-1-yl)methyl]acetamide
CID 134204218
2-propan-2-yl-1-(3-propan-2-ylnaphthalen-1-yl)naphthalene
CID 147001683
bis(1,3-di(propan-2-yl)naphthalene);1,4-di(propan-2-yl)naphthalene;2,6-di(propan-2-yl)naphthalene;2,7-di(propan-2-yl)naphthalene
CID 161209991
2-(aminomethyl)-N-propan-2-ylquinolin-4-amine
CID 84681230
ethane;2-propan-2-ylnaphthalene
CID 142226111
3-(propan-2-ylamino)thiochromen-4-one
CID 53016923
2-propan-2-ylpentacene
CID 153380535
2-(methylaminomethyl)-N-propan-2-ylquinolin-4-amine
CID 113378137
4-(2-methylbutan-2-yl)-N-[(3-propan-2-ylnaphthalen-1-yl)methyl]naphthalen-1-amine
CID 177161188
10-methyl-2-propan-2-ylphenanthrene
CID 613068
(1S)-N-methyl-1-phenanthren-2-ylethanamine
CID 165356089

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).