N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine

C16H21N — CID 170865366

IUPACN,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc(CCCN(C)C)c2ccccc12
InChIInChI=1S/C16H21N/c1-13-10-11-14(7-6-12-17(2)3)16-9-5-4-8-15(13)16/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyKOJWTOSUPIGCPG-UHFFFAOYSA-N
MW227.35 g/mol
LogP3.64
Rot. Bonds4

About N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine

N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine (PubChem CID 170865366) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
PubChem CID170865366
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine
SMILESCc1ccc(CCCN(C)C)c2ccccc12
InChIInChI=1S/C16H21N/c1-13-10-11-14(7-6-12-17(2)3)16-9-5-4-8-15(13)16/h4-5,8-11H,6-7,12H2,1-3H3
InChIKeyKOJWTOSUPIGCPG-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

3-(4-methylnaphthalen-1-yl)propan-1-amine
CID 55266988
5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305159
N,N-dimethyl-3-phenanthren-9-ylpropan-1-amine
CID 170865144
2-[3-(dimethylamino)propyl]naphthalen-1-amine
CID 19734899
N,N-dimethyl-3-(10-methylanthracen-9-yl)propan-1-amine
CID 170865143
N-ethyl-5-(4-methylnaphthalen-1-yl)pentan-1-amine
CID 65305418
N,N-dimethyl-12-(2-methylphenyl)dodecan-1-amine;hydrate
CID 173447859
N,N-dimethyl-16-naphthalen-1-ylhexadecan-1-amine;hydrochloride
CID 174059419
3-(2-bromo-3-methylphenyl)-N,N-dimethylpropan-1-amine
CID 163375747
5-methyl-8-[2-(4-methylnaphthalen-1-yl)ethyl]quinoxaline
CID 146577718
3-(1-ethylindol-3-yl)-N,N-dimethylpropan-1-amine
CID 158239004
2,2-dimethyl-4-(4-methylnaphthalen-1-yl)butan-1-amine
CID 65305262

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine (CID 170865366) is N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine is Cc1ccc(CCCN(C)C)c2ccccc12.
What is the InChIKey of N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine?
The InChIKey is KOJWTOSUPIGCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N/c1-13-10-11-14(7-6-12-17(2)3)16-9-5-4-8-15(13)16/h4-5,8-11H,6-7,12H2,1-3H3.
What are the key properties of N,N-dimethyl-3-(4-methylnaphthalen-1-yl)propan-1-amine?
N,N-dimethyl-3-(4-methylnaphthalen-1-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-(4-methylnaphthalen-1-yl)propan-1-amine is sourced from PubChem (CID 170865366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).