N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine

C19H27N — CID 81431851

IUPACN,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine
SMILESCNCCC(C)(C)CCc1c(C)ccc2ccccc12
InChIInChI=1S/C19H27N/c1-15-9-10-16-7-5-6-8-18(16)17(15)11-12-19(2,3)13-14-20-4/h5-10,20H,11-14H2,1-4H3
InChIKeyVMZBATCMFWPGTN-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.72
Rot. Bonds6

About N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine

N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine (PubChem CID 81431851) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine.

Molecular Properties

Compound NameN,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine
PubChem CID81431851
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC NameN,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine
SMILESCNCCC(C)(C)CCc1c(C)ccc2ccccc12
InChIInChI=1S/C19H27N/c1-15-9-10-16-7-5-6-8-18(16)17(15)11-12-19(2,3)13-14-20-4/h5-10,20H,11-14H2,1-4H3
InChIKeyVMZBATCMFWPGTN-UHFFFAOYSA-N
XLogP4.72
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine?
The IUPAC name of N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine (CID 81431851) is N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine.
What is the SMILES notation for N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine?
The canonical SMILES for N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine is CNCCC(C)(C)CCc1c(C)ccc2ccccc12.
What is the InChIKey of N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine?
The InChIKey is VMZBATCMFWPGTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-15-9-10-16-7-5-6-8-18(16)17(15)11-12-19(2,3)13-14-20-4/h5-10,20H,11-14H2,1-4H3.
What are the key properties of N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine?
N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 4.72, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-(2-methylnaphthalen-1-yl)pentan-1-amine is sourced from PubChem (CID 81431851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).