N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide

C14H29N3 — CID 146353278

IUPACN-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide
SMILESC/C=C(CC(C)(C)C)\N=C(/CC(C)(C)C)NN
InChIInChI=1S/C14H29N3/c1-8-11(9-13(2,3)4)16-12(17-15)10-14(5,6)7/h8H,9-10,15H2,1-7H3,(H,16,17)/b11-8-
InChIKeyOCUXWCCZWDQHFS-FLIBITNWSA-N
MW239.41 g/mol
LogP3.62
Rot. Bonds3

About N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide

N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide (PubChem CID 146353278) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide.

Molecular Properties

Compound NameN-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide
PubChem CID146353278
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC NameN-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide
SMILESC/C=C(CC(C)(C)C)\N=C(/CC(C)(C)C)NN
InChIInChI=1S/C14H29N3/c1-8-11(9-13(2,3)4)16-12(17-15)10-14(5,6)7/h8H,9-10,15H2,1-7H3,(H,16,17)/b11-8-
InChIKeyOCUXWCCZWDQHFS-FLIBITNWSA-N
XLogP3.62
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide?
The IUPAC name of N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide (CID 146353278) is N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide.
What is the SMILES notation for N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide?
The canonical SMILES for N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide is C/C=C(CC(C)(C)C)\N=C(/CC(C)(C)C)NN.
What is the InChIKey of N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide?
The InChIKey is OCUXWCCZWDQHFS-FLIBITNWSA-N. The full InChI is InChI=1S/C14H29N3/c1-8-11(9-13(2,3)4)16-12(17-15)10-14(5,6)7/h8H,9-10,15H2,1-7H3,(H,16,17)/b11-8-.
What are the key properties of N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide?
N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide has a molecular weight of 239.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-[(Z)-5,5-dimethylhex-2-en-3-yl]-3,3-dimethylbutanimidamide is sourced from PubChem (CID 146353278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).