3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine

C18H25N — CID 79830054

IUPAC3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-14(2)19-13-12-18(3,4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,19H,12-13H2,1-4H3
InChIKeySCNKVCDZPFZAQI-UHFFFAOYSA-N
MW255.41 g/mol
LogP4.51
Rot. Bonds5

About 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine

3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine (PubChem CID 79830054) has the molecular formula C18H25N and a molecular weight of 255.41 g/mol. Its IUPAC name is 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine.

Molecular Properties

Compound Name3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
PubChem CID79830054
Molecular FormulaC18H25N
Molecular Weight255.41 g/mol
Exact Mass255.20
IUPAC Name3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine
SMILESCC(C)NCCC(C)(C)c1cccc2ccccc12
InChIInChI=1S/C18H25N/c1-14(2)19-13-12-18(3,4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,19H,12-13H2,1-4H3
InChIKeySCNKVCDZPFZAQI-UHFFFAOYSA-N
XLogP4.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.41
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-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

3-methyl-N-propan-2-yl-3-[2-(trifluoromethyl)phenyl]butan-1-amine
CID 81022627
3-(2,3-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 81021922
3-(1,2-dihydroacenaphthylen-5-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 114939848
N-naphthalen-1-yl-N'-propan-2-ylethane-1,2-diamine
CID 115206310
N,4-dimethyl-4-naphthalen-1-ylpentan-2-amine
CID 64718281
1-(1,1-dinaphthalen-1-ylethyl)naphthalene
CID 91541516
3-(2,5-dichlorophenyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830945
2-(1-benzothiophen-7-yl)-4-(propan-2-ylamino)butan-2-ol
CID 81147025
3-methyl-2-naphthalen-1-ylbutan-2-ol
CID 11830817
3-(furan-2-yl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 79830782
3-methyl-3-(4-methyl-3-pyridinyl)-N-propan-2-ylbutan-1-amine
CID 81022881
1-(4,4,4-trichloro-2-methylbutan-2-yl)naphthalene
CID 57258999

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine?
The IUPAC name of 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine (CID 79830054) is 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine.
What is the SMILES notation for 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine?
The canonical SMILES for 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine is CC(C)NCCC(C)(C)c1cccc2ccccc12.
What is the InChIKey of 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine?
The InChIKey is SCNKVCDZPFZAQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N/c1-14(2)19-13-12-18(3,4)17-11-7-9-15-8-5-6-10-16(15)17/h5-11,14,19H,12-13H2,1-4H3.
What are the key properties of 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine?
3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine has a molecular weight of 255.41 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-naphthalen-1-yl-N-propan-2-ylbutan-1-amine is sourced from PubChem (CID 79830054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).