(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide

C16H29N3 — CID 146642727

IUPAC(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide
SMILESC=C(N)C(C)C(C=CCC)/C=C\C(C)(C)/C(N)=N/C
InChIInChI=1S/C16H29N3/c1-7-8-9-14(12(2)13(3)17)10-11-16(4,5)15(18)19-6/h8-12,14H,3,7,17H2,1-2,4-6H3,(H2,18,19)/b9-8?,11-10-
InChIKeyGPWZBPCKDNDWSQ-HWDIUJSMSA-N
MW263.43 g/mol
LogP3.25
Rot. Bonds7

About (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide

(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide (PubChem CID 146642727) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide.

Molecular Properties

Compound Name(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide
PubChem CID146642727
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide
SMILESC=C(N)C(C)C(C=CCC)/C=C\C(C)(C)/C(N)=N/C
InChIInChI=1S/C16H29N3/c1-7-8-9-14(12(2)13(3)17)10-11-16(4,5)15(18)19-6/h8-12,14H,3,7,17H2,1-2,4-6H3,(H2,18,19)/b9-8?,11-10-
InChIKeyGPWZBPCKDNDWSQ-HWDIUJSMSA-N
XLogP3.25
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 53.25
H-Bond Donors ≤ 52
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide?
The IUPAC name of (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide (CID 146642727) is (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide.
What is the SMILES notation for (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide?
The canonical SMILES for (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide is C=C(N)C(C)C(C=CCC)/C=C\C(C)(C)/C(N)=N/C.
What is the InChIKey of (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide?
The InChIKey is GPWZBPCKDNDWSQ-HWDIUJSMSA-N. The full InChI is InChI=1S/C16H29N3/c1-7-8-9-14(12(2)13(3)17)10-11-16(4,5)15(18)19-6/h8-12,14H,3,7,17H2,1-2,4-6H3,(H2,18,19)/b9-8?,11-10-.
What are the key properties of (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide?
(3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide has a molecular weight of 263.43 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-5-(3-aminobut-3-en-2-yl)-N',2,2-trimethylnona-3,6-dienimidamide is sourced from PubChem (CID 146642727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).