N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine

C16H21N — CID 170865408

IUPACN,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
SMILESCc1ccc2ccc(CCCN(C)C)cc2c1
InChIInChI=1S/C16H21N/c1-13-6-8-15-9-7-14(12-16(15)11-13)5-4-10-17(2)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZOZAXBDKEDRQDM-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.64
Rot. Bonds4

About N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine

N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine (PubChem CID 170865408) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
PubChem CID170865408
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine
SMILESCc1ccc2ccc(CCCN(C)C)cc2c1
InChIInChI=1S/C16H21N/c1-13-6-8-15-9-7-14(12-16(15)11-13)5-4-10-17(2)3/h6-9,11-12H,4-5,10H2,1-3H3
InChIKeyZOZAXBDKEDRQDM-UHFFFAOYSA-N
XLogP3.64
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.35
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-7-propylnaphthalene
CID 59912073
N,N-dimethyl-3-phenanthren-3-ylpropan-1-amine
CID 170865620
N,N-dimethyl-3-[1-[(4-methylphenyl)methyl]indol-6-yl]propan-1-amine
CID 170866724
[methyl-[2-(6-methylnaphthalen-2-yl)ethyl]amino]methanethiol
CID 115228492
N,N-dimethyl-5-(4-methylphenyl)pentan-1-amine;hydrate
CID 173447958
N,N-dimethyl-3-[4-(6-pentylnaphthalen-2-yl)phenyl]propan-1-amine
CID 145234947
methyl-[2-(6-methylnaphthalen-2-yl)ethyl]cyanamide
CID 117043584
2-(bromomethyl)-7-methylnaphthalene
CID 13426568
ethane;2-ethyl-7-methylnaphthalene;methane
CID 167476321
N,N-dimethyl-3-[3-[(4-methylphenyl)methoxy]phenyl]propan-1-amine
CID 170866457
3-(1,5-dimethylindol-2-yl)-N,N-dimethylpropan-1-amine
CID 170867038
2-hydroxy-N-methyl-N-[2-(6-methylnaphthalen-2-yl)ethyl]acetamide
CID 115140233

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine (CID 170865408) is N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine is Cc1ccc2ccc(CCCN(C)C)cc2c1.
What is the InChIKey of N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine?
The InChIKey is ZOZAXBDKEDRQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-13-6-8-15-9-7-14(12-16(15)11-13)5-4-10-17(2)3/h6-9,11-12H,4-5,10H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine?
N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine has a molecular weight of 227.35 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(7-methylnaphthalen-2-yl)propan-1-amine is sourced from PubChem (CID 170865408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).