(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine

C14H21N — CID 84620108

IUPAC(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)CC(C)(C)C2
InChIInChI=1S/C14H21N/c1-10-4-5-11-7-14(2,3)8-12(9-15)13(11)6-10/h4-6,12H,7-9,15H2,1-3H3
InChIKeyGDQRKWSOKKEOKJ-UHFFFAOYSA-N
MW203.33 g/mol
LogP3.01
Rot. Bonds1

About (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine

(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine (PubChem CID 84620108) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine.

Molecular Properties

Compound Name(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine
PubChem CID84620108
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine
SMILESCc1ccc2c(c1)C(CN)CC(C)(C)C2
InChIInChI=1S/C14H21N/c1-10-4-5-11-7-14(2,3)8-12(9-15)13(11)6-10/h4-6,12H,7-9,15H2,1-3H3
InChIKeyGDQRKWSOKKEOKJ-UHFFFAOYSA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine?
The IUPAC name of (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine (CID 84620108) is (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine.
What is the SMILES notation for (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine?
The canonical SMILES for (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine is Cc1ccc2c(c1)C(CN)CC(C)(C)C2.
What is the InChIKey of (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine?
The InChIKey is GDQRKWSOKKEOKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N/c1-10-4-5-11-7-14(2,3)8-12(9-15)13(11)6-10/h4-6,12H,7-9,15H2,1-3H3.
What are the key properties of (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine?
(3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine has a molecular weight of 203.33 g/mol, XLogP of 3.01, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3,7-trimethyl-2,4-dihydro-1H-naphthalen-1-yl)methanamine is sourced from PubChem (CID 84620108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).