N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide

C16H29N3 — CID 146531997

IUPACN-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
SMILESC=CC=CCCC(C)N(C)/C=C\N(C)/C=N/C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-9-10-11-16(4)19(6)13-12-18(5)14-17-15(2)3/h7-9,12-16H,1,10-11H2,2-6H3/b9-8?,13-12-,17-14+
InChIKeyAYDUJOLVWROTOC-KYSUUCDNSA-N
MW263.43 g/mol
LogP3.67
Rot. Bonds9

About N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide

N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide (PubChem CID 146531997) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide.

Molecular Properties

Compound NameN-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
PubChem CID146531997
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide
SMILESC=CC=CCCC(C)N(C)/C=C\N(C)/C=N/C(C)C
InChIInChI=1S/C16H29N3/c1-7-8-9-10-11-16(4)19(6)13-12-18(5)14-17-15(2)3/h7-9,12-16H,1,10-11H2,2-6H3/b9-8?,13-12-,17-14+
InChIKeyAYDUJOLVWROTOC-KYSUUCDNSA-N
XLogP3.67
TPSA18.84 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide?
The IUPAC name of N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide (CID 146531997) is N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide.
What is the SMILES notation for N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide?
The canonical SMILES for N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide is C=CC=CCCC(C)N(C)/C=C\N(C)/C=N/C(C)C.
What is the InChIKey of N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide?
The InChIKey is AYDUJOLVWROTOC-KYSUUCDNSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-9-10-11-16(4)19(6)13-12-18(5)14-17-15(2)3/h7-9,12-16H,1,10-11H2,2-6H3/b9-8?,13-12-,17-14+.
What are the key properties of N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide?
N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide has a molecular weight of 263.43 g/mol, XLogP of 3.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(Z)-2-[methyl(octa-5,7-dien-2-yl)amino]ethenyl]-N'-propan-2-ylmethanimidamide is sourced from PubChem (CID 146531997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).