N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine

C30H44N2 — CID 155328019

IUPACN-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/CC(C)(C)C(C)=C2C(=C(C)C)C3=C(CN21)C(C(C)(C=CC)C(C)C)CC=C3
InChIInChI=1S/C30H44N2/c1-12-16-30(10,20(4)5)25-15-13-14-23-24(25)18-32-26(22(7)31-11)17-29(8,9)21(6)28(32)27(23)19(2)3/h12-14,16,20,25H,11,15,17-18H2,1-10H3/b16-12?,26-22-
InChIKeySCULMRSYRIHGAI-FMQBWFGMSA-N
MW432.70 g/mol
LogP8.39
Rot. Bonds4

About N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine

N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine (PubChem CID 155328019) has the molecular formula C30H44N2 and a molecular weight of 432.70 g/mol. Its IUPAC name is N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine.

Molecular Properties

Compound NameN-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine
PubChem CID155328019
Molecular FormulaC30H44N2
Molecular Weight432.70 g/mol
Exact Mass432.35
IUPAC NameN-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine
SMILESC=N/C(C)=C1/CC(C)(C)C(C)=C2C(=C(C)C)C3=C(CN21)C(C(C)(C=CC)C(C)C)CC=C3
InChIInChI=1S/C30H44N2/c1-12-16-30(10,20(4)5)25-15-13-14-23-24(25)18-32-26(22(7)31-11)17-29(8,9)21(6)28(32)27(23)19(2)3/h12-14,16,20,25H,11,15,17-18H2,1-10H3/b16-12?,26-22-
InChIKeySCULMRSYRIHGAI-FMQBWFGMSA-N
XLogP8.39
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.70
LogP ≤ 58.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine?
The IUPAC name of N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine (CID 155328019) is N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine.
What is the SMILES notation for N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine?
The canonical SMILES for N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine is C=N/C(C)=C1/CC(C)(C)C(C)=C2C(=C(C)C)C3=C(CN21)C(C(C)(C=CC)C(C)C)CC=C3.
What is the InChIKey of N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine?
The InChIKey is SCULMRSYRIHGAI-FMQBWFGMSA-N. The full InChI is InChI=1S/C30H44N2/c1-12-16-30(10,20(4)5)25-15-13-14-23-24(25)18-32-26(22(7)31-11)17-29(8,9)21(6)28(32)27(23)19(2)3/h12-14,16,20,25H,11,15,17-18H2,1-10H3/b16-12?,26-22-.
What are the key properties of N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine?
N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine has a molecular weight of 432.70 g/mol, XLogP of 8.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-[7-(2,3-dimethylhex-4-en-3-yl)-1,2,2-trimethyl-11-propan-2-ylidene-3,6,7,8-tetrahydrobenzo[b]quinolizin-4-ylidene]ethyl]methanimine is sourced from PubChem (CID 155328019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).