(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine

C18H27N — CID 143737552

IUPAC(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine
SMILESCN/C=C(\C)CC1CCCc2ccc(C(C)C)cc21
InChIInChI=1S/C18H27N/c1-13(2)16-9-8-15-6-5-7-17(18(15)11-16)10-14(3)12-19-4/h8-9,11-13,17,19H,5-7,10H2,1-4H3/b14-12+
InChIKeyZRUKJVXKUUORDW-WYMLVPIESA-N
MW257.42 g/mol
LogP4.74
Rot. Bonds4

About (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine

(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine (PubChem CID 143737552) has the molecular formula C18H27N and a molecular weight of 257.42 g/mol. Its IUPAC name is (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine.

Molecular Properties

Compound Name(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine
PubChem CID143737552
Molecular FormulaC18H27N
Molecular Weight257.42 g/mol
Exact Mass257.21
IUPAC Name(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine
SMILESCN/C=C(\C)CC1CCCc2ccc(C(C)C)cc21
InChIInChI=1S/C18H27N/c1-13(2)16-9-8-15-6-5-7-17(18(15)11-16)10-14(3)12-19-4/h8-9,11-13,17,19H,5-7,10H2,1-4H3/b14-12+
InChIKeyZRUKJVXKUUORDW-WYMLVPIESA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.42
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine?
The IUPAC name of (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine (CID 143737552) is (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine.
What is the SMILES notation for (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine?
The canonical SMILES for (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine is CN/C=C(\C)CC1CCCc2ccc(C(C)C)cc21.
What is the InChIKey of (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine?
The InChIKey is ZRUKJVXKUUORDW-WYMLVPIESA-N. The full InChI is InChI=1S/C18H27N/c1-13(2)16-9-8-15-6-5-7-17(18(15)11-16)10-14(3)12-19-4/h8-9,11-13,17,19H,5-7,10H2,1-4H3/b14-12+.
What are the key properties of (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine?
(E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine has a molecular weight of 257.42 g/mol, XLogP of 4.74, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N,2-dimethyl-3-(7-propan-2-yl-1,2,3,4-tetrahydronaphthalen-1-yl)prop-1-en-1-amine is sourced from PubChem (CID 143737552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).