(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine

C24H25NO — CID 156569515

IUPAC(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine
SMILESCCC(C)/C=C(\NC)c1c(C)ccc2c1oc1c3ccccc3ccc21
InChIInChI=1S/C24H25NO/c1-5-15(2)14-21(25-4)22-16(3)10-12-20-19-13-11-17-8-6-7-9-18(17)23(19)26-24(20)22/h6-15,25H,5H2,1-4H3/b21-14-
InChIKeyHXRGAQPBUZQQDE-STZFKDTASA-N
MW343.47 g/mol
LogP6.65
Rot. Bonds4

About (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine

(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine (PubChem CID 156569515) has the molecular formula C24H25NO and a molecular weight of 343.47 g/mol. Its IUPAC name is (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine
PubChem CID156569515
Molecular FormulaC24H25NO
Molecular Weight343.47 g/mol
Exact Mass343.19
IUPAC Name(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine
SMILESCCC(C)/C=C(\NC)c1c(C)ccc2c1oc1c3ccccc3ccc21
InChIInChI=1S/C24H25NO/c1-5-15(2)14-21(25-4)22-16(3)10-12-20-19-13-11-17-8-6-7-9-18(17)23(19)26-24(20)22/h6-15,25H,5H2,1-4H3/b21-14-
InChIKeyHXRGAQPBUZQQDE-STZFKDTASA-N
XLogP6.65
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.47
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine?
The IUPAC name of (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine (CID 156569515) is (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine.
What is the SMILES notation for (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine?
The canonical SMILES for (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine is CCC(C)/C=C(\NC)c1c(C)ccc2c1oc1c3ccccc3ccc21.
What is the InChIKey of (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine?
The InChIKey is HXRGAQPBUZQQDE-STZFKDTASA-N. The full InChI is InChI=1S/C24H25NO/c1-5-15(2)14-21(25-4)22-16(3)10-12-20-19-13-11-17-8-6-7-9-18(17)23(19)26-24(20)22/h6-15,25H,5H2,1-4H3/b21-14-.
What are the key properties of (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine?
(Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine has a molecular weight of 343.47 g/mol, XLogP of 6.65, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,3-dimethyl-1-(9-methylnaphtho[1,2-b][1]benzofuran-10-yl)pent-1-en-1-amine is sourced from PubChem (CID 156569515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).