N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide

C9H19N3 — CID 90452832

IUPACN-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
SMILESCCC/C(N/C=N/C)=C(\C)CN
InChIInChI=1S/C9H19N3/c1-4-5-9(8(2)6-10)12-7-11-3/h7H,4-6,10H2,1-3H3,(H,11,12)/b9-8-
InChIKeyLOUXPXHKQRUWBQ-HJWRWDBZSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds5

About N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide

N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide (PubChem CID 90452832) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide.

Molecular Properties

Compound NameN-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
PubChem CID90452832
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide
SMILESCCC/C(N/C=N/C)=C(\C)CN
InChIInChI=1S/C9H19N3/c1-4-5-9(8(2)6-10)12-7-11-3/h7H,4-6,10H2,1-3H3,(H,11,12)/b9-8-
InChIKeyLOUXPXHKQRUWBQ-HJWRWDBZSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
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'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide?
The IUPAC name of N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide (CID 90452832) is N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide.
What is the SMILES notation for N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide?
The canonical SMILES for N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide is CCC/C(N/C=N/C)=C(\C)CN.
What is the InChIKey of N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide?
The InChIKey is LOUXPXHKQRUWBQ-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-5-9(8(2)6-10)12-7-11-3/h7H,4-6,10H2,1-3H3,(H,11,12)/b9-8-.
What are the key properties of N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide?
N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-amino-2-methylhex-2-en-3-yl]-N'-methylmethanimidamide is sourced from PubChem (CID 90452832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).