N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide

C11H21N3 — CID 143086362

IUPACN-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide
SMILESC=CC/N=C/N(CCCN)C(C)C=C
InChIInChI=1S/C11H21N3/c1-4-8-13-10-14(9-6-7-12)11(3)5-2/h4-5,10-11H,1-2,6-9,12H2,3H3/b13-10+
InChIKeyVYONGMCLQYHZQU-JLHYYAGUSA-N
MW195.31 g/mol
LogP1.43
Rot. Bonds8

About N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide

N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide (PubChem CID 143086362) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide
PubChem CID143086362
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC NameN-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide
SMILESC=CC/N=C/N(CCCN)C(C)C=C
InChIInChI=1S/C11H21N3/c1-4-8-13-10-14(9-6-7-12)11(3)5-2/h4-5,10-11H,1-2,6-9,12H2,3H3/b13-10+
InChIKeyVYONGMCLQYHZQU-JLHYYAGUSA-N
XLogP1.43
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.43
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

3-(4,5-Dihydroimidazol-1-yl)pent-4-en-2-amine
CID 69238786
N-[3-(ethylamino)propyl]-N'-methyl-N-prop-2-enylmethanimidamide
CID 90248355
N'-[(Z)-but-2-enyl]-N-but-3-en-2-ylmethanimidamide
CID 134350120
N-but-3-en-2-yl-N'-ethylmethanimidamide
CID 155118978
N'-but-3-en-2-yl-N-propan-2-ylmethanimidamide
CID 155371555
3-(4,5-Dihydroimidazol-1-yl)pent-4-en-1-amine
CID 174908408

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide?
The IUPAC name of N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide (CID 143086362) is N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide.
What is the SMILES notation for N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide?
The canonical SMILES for N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide is C=CC/N=C/N(CCCN)C(C)C=C.
What is the InChIKey of N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide?
The InChIKey is VYONGMCLQYHZQU-JLHYYAGUSA-N. The full InChI is InChI=1S/C11H21N3/c1-4-8-13-10-14(9-6-7-12)11(3)5-2/h4-5,10-11H,1-2,6-9,12H2,3H3/b13-10+.
What are the key properties of N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide?
N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide has a molecular weight of 195.31 g/mol, XLogP of 1.43, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-but-3-en-2-yl-N'-prop-2-enylmethanimidamide is sourced from PubChem (CID 143086362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).