N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide

C11H23N3 — CID 170240540

IUPACN'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide
SMILESCCCC(CCC)C(/N=C/N)=C(\C)N
InChIInChI=1S/C11H23N3/c1-4-6-10(7-5-2)11(9(3)13)14-8-12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/b11-9-
InChIKeyKSKOXCWSYQQQJZ-LUAWRHEFSA-N
MW197.33 g/mol
LogP2.38
Rot. Bonds6

About N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide

N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide (PubChem CID 170240540) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide
PubChem CID170240540
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide
SMILESCCCC(CCC)C(/N=C/N)=C(\C)N
InChIInChI=1S/C11H23N3/c1-4-6-10(7-5-2)11(9(3)13)14-8-12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/b11-9-
InChIKeyKSKOXCWSYQQQJZ-LUAWRHEFSA-N
XLogP2.38
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 52.38
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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Related Compounds

ethane;2-ethylpentanamide
CID 178117178
2-ethylpentanamide;hydrochloride
CID 121334657
(2S,4R)-4-carbamoyl-2-propylhexanoic acid
CID 59815875
N'-[(Z)-hex-2-en-2-yl]methanimidamide
CID 118151912
(Z,4Z)-5-ethyl-4-ethylideneoct-2-en-1-amine
CID 130217220
dodecane-2,4,6,8-tetracarboxamide
CID 89075509
2-[(2S)-pentan-2-yl]guanidine
CID 94416084
2-(2-propylpentyl)guanidine
CID 174332322
(E)-N-methyl-6-propylnon-3-en-5-imine
CID 153374577
N-[(Z)-3-ethyl-1-methylsulfanylhex-1-en-2-yl]ethanimine
CID 129233175
N-[(E)-but-2-enyl]-2-ethylpentanamide
CID 178010270
2-ethylpentaneperoxoic acid
CID 178072085

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide?
The IUPAC name of N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide (CID 170240540) is N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide is CCCC(CCC)C(/N=C/N)=C(\C)N.
What is the InChIKey of N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide?
The InChIKey is KSKOXCWSYQQQJZ-LUAWRHEFSA-N. The full InChI is InChI=1S/C11H23N3/c1-4-6-10(7-5-2)11(9(3)13)14-8-12/h8,10H,4-7,13H2,1-3H3,(H2,12,14)/b11-9-.
What are the key properties of N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide?
N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide has a molecular weight of 197.33 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-2-amino-4-propylhept-2-en-3-yl]methanimidamide is sourced from PubChem (CID 170240540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).