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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,6-Di(propan-2-yl)-1,4-dihydropyrimidine
CID 60071327
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
6-(4-Methylhexa-4,5-dienyl)-4-propyl-1,4-dihydropyrimidin-5-amine
CID 126593772
N'-ethyl-N-[(E)-4-methylhex-3-en-3-yl]methanimidamide
CID 138709659
N'-methyl-N-(2-methylpent-2-en-3-yl)methanimidamide
CID 139406533
ethane;N-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 143256830
Ethane;6-ethyl-5-(2-methylbut-3-en-2-yl)-1,4-dihydropyrimidine
CID 143303386
ethane;4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine
CID 144211501
ethane;4-methyl-4,5,6,7-tetrahydro-1H-cyclopenta[d]pyrimidine
CID 145622545
N'-methyl-N-(2-methylhept-2-en-3-yl)methanimidamide
CID 153334268
(Z)-N,3-dimethyl-4-(methylideneamino)pent-3-en-1-amine
CID 155070930
5-Tert-butyl-6-propan-2-yl-1,4-dihydropyrimidine
CID 169298204

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).