(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine

C19H25N — CID 138615836

IUPAC(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine
SMILESCC=CC1(C)/C=C\C=C/C(=N\C(C)C)C2=CC=CCC21
InChIInChI=1S/C19H25N/c1-5-13-19(4)14-9-8-12-18(20-15(2)3)16-10-6-7-11-17(16)19/h5-10,12-15,17H,11H2,1-4H3/b12-8-,13-5?,14-9-,20-18+
InChIKeyNGDJWKBKKMDTNM-MHUYVOPBSA-N
MW267.42 g/mol
LogP5.05
Rot. Bonds2

About (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine

(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine (PubChem CID 138615836) has the molecular formula C19H25N and a molecular weight of 267.42 g/mol. Its IUPAC name is (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine.

Molecular Properties

Compound Name(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine
PubChem CID138615836
Molecular FormulaC19H25N
Molecular Weight267.42 g/mol
Exact Mass267.20
IUPAC Name(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine
SMILESCC=CC1(C)/C=C\C=C/C(=N\C(C)C)C2=CC=CCC21
InChIInChI=1S/C19H25N/c1-5-13-19(4)14-9-8-12-18(20-15(2)3)16-10-6-7-11-17(16)19/h5-10,12-15,17H,11H2,1-4H3/b12-8-,13-5?,14-9-,20-18+
InChIKeyNGDJWKBKKMDTNM-MHUYVOPBSA-N
XLogP5.05
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.42
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine?
The IUPAC name of (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine (CID 138615836) is (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine.
What is the SMILES notation for (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine?
The canonical SMILES for (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine is CC=CC1(C)/C=C\C=C/C(=N\C(C)C)C2=CC=CCC21.
What is the InChIKey of (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine?
The InChIKey is NGDJWKBKKMDTNM-MHUYVOPBSA-N. The full InChI is InChI=1S/C19H25N/c1-5-13-19(4)14-9-8-12-18(20-15(2)3)16-10-6-7-11-17(16)19/h5-10,12-15,17H,11H2,1-4H3/b12-8-,13-5?,14-9-,20-18+.
What are the key properties of (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine?
(6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine has a molecular weight of 267.42 g/mol, XLogP of 5.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-5-methyl-N-propan-2-yl-5-prop-1-enyl-4,4a-dihydrobenzo[8]annulen-10-imine is sourced from PubChem (CID 138615836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).