N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane

C11H25N3 — CID 143187083

IUPACN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane
SMILESC=CN(/C=N/C)CCCN.CCCC
InChIInChI=1S/C7H15N3.C4H10/c1-3-10(7-9-2)6-4-5-8;1-3-4-2/h3,7H,1,4-6,8H2,2H3;3-4H2,1-2H3/b9-7+;
InChIKeyNRWVFVWAHUDAMM-BXTVWIJMSA-N
MW199.34 g/mol
LogP2.25
Rot. Bonds6

About N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane

N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane (PubChem CID 143187083) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane
PubChem CID143187083
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane
SMILESC=CN(/C=N/C)CCCN.CCCC
InChIInChI=1S/C7H15N3.C4H10/c1-3-10(7-9-2)6-4-5-8;1-3-4-2/h3,7H,1,4-6,8H2,2H3;3-4H2,1-2H3/b9-7+;
InChIKeyNRWVFVWAHUDAMM-BXTVWIJMSA-N
XLogP2.25
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.25
H-Bond Donors ≤ 51
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

N-(1-amino-5-fluoropentan-3-yl)-N-ethenyl-N'-ethylmethanimidamide
CID 143513162
1-propyl-1H-imidazol-1-ium chloride
CID 19765953
3-methyl-1-propyl-1H-imidazole-1,3-diium
CID 22088709
1-propyl-1H-imidazol-1-ium iodide
CID 23069668
1-propyl-1H-imidazol-1-ium bromide
CID 66639974
3-(1-Methylimidazol-1-ium-1-yl)propan-1-amine
CID 67940239
1-propyl-1H-imidazol-1-ium fluoride
CID 69338874
4-(1-Methylimidazol-1-ium-1-yl)butan-1-amine
CID 70491308
N-(3-aminobutyl)-N'-[(1E)-buta-1,3-dienyl]-N-methylmethanimidamide
CID 118489711
N-(3-aminopropyl)-N-methyl-N'-[(E)-prop-1-enyl]methanimidamide
CID 118489712
N-(3-aminopropyl)-N'-ethenyl-N-methylmethanimidamide
CID 118489719
N-methyl-N-[3-(methylamino)propyl]-N'-[(E)-prop-1-enyl]methanimidamide
CID 118490146

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane?
The IUPAC name of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane (CID 143187083) is N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane.
What is the SMILES notation for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane?
The canonical SMILES for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane is C=CN(/C=N/C)CCCN.CCCC.
What is the InChIKey of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane?
The InChIKey is NRWVFVWAHUDAMM-BXTVWIJMSA-N. The full InChI is InChI=1S/C7H15N3.C4H10/c1-3-10(7-9-2)6-4-5-8;1-3-4-2/h3,7H,1,4-6,8H2,2H3;3-4H2,1-2H3/b9-7+;.
What are the key properties of N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane?
N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane has a molecular weight of 199.34 g/mol, XLogP of 2.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-ethenyl-N'-methylmethanimidamide;butane is sourced from PubChem (CID 143187083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).