(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine

C13H19N — CID 43316841

IUPAC(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
SMILESCC1(C)CCC(CN)c2ccccc21
InChIInChI=1S/C13H19N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-9,14H2,1-2H3
InChIKeyLBWVCDBPNUUOKM-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.80
Rot. Bonds1

About (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine

(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine (PubChem CID 43316841) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
PubChem CID43316841
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine
SMILESCC1(C)CCC(CN)c2ccccc21
InChIInChI=1S/C13H19N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-9,14H2,1-2H3
InChIKeyLBWVCDBPNUUOKM-UHFFFAOYSA-N
XLogP2.80
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine?
The IUPAC name of (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine (CID 43316841) is (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine.
What is the SMILES notation for (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine?
The canonical SMILES for (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine is CC1(C)CCC(CN)c2ccccc21.
What is the InChIKey of (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine?
The InChIKey is LBWVCDBPNUUOKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-13(2)8-7-10(9-14)11-5-3-4-6-12(11)13/h3-6,10H,7-9,14H2,1-2H3.
What are the key properties of (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine?
(4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine has a molecular weight of 189.30 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-dimethyl-2,3-dihydro-1H-naphthalen-1-yl)methanamine is sourced from PubChem (CID 43316841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).