N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine

C11H20N2 — CID 90739426

IUPACN-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine
SMILESC=NC=CC(=CC)CNCCCC
InChIInChI=1S/C11H20N2/c1-4-6-8-13-10-11(5-2)7-9-12-3/h5,7,9,13H,3-4,6,8,10H2,1-2H3
InChIKeyWPBMUAOHSFQTEM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.54
Rot. Bonds7

About N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine

N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine (PubChem CID 90739426) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound NameN-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine
PubChem CID90739426
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine
SMILESC=NC=CC(=CC)CNCCCC
InChIInChI=1S/C11H20N2/c1-4-6-8-13-10-11(5-2)7-9-12-3/h5,7,9,13H,3-4,6,8,10H2,1-2H3
InChIKeyWPBMUAOHSFQTEM-UHFFFAOYSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(E)-2-[(1Z)-buta-1,3-dienyl]-N'-propylprop-1-ene-1,3-diamine
CID 89023943
(Z,3E)-N'-ethyl-N'-[2-(methylamino)ethyl]-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 89215537
(Z,3E)-3-but-3-en-2-ylidene-N'-methylbut-1-ene-1,4-diamine
CID 89218687
(Z,3E)-N'-methyl-3-prop-2-enylidenebut-1-ene-1,4-diamine
CID 89218789
(1Z,3Z)-N-butyl-3-methylhexa-1,3,5-trien-1-amine
CID 89313204
(1Z,3Z)-5-methylidene-N'-propylhepta-1,3-diene-1,7-diamine
CID 89364339
(2E)-N-butyl-2-[(ethylideneamino)methylidene]but-3-en-1-amine
CID 90747180
N,2-dimethyl-5-(methylideneamino)penta-2,4-dien-1-amine
CID 91285492
N-(1,2-dihydropyridin-4-ylmethyl)ethanamine
CID 117998090
(Z,3E)-N'-methyl-3-prop-2-enylidene-N'-propylbut-1-ene-1,4-diamine
CID 122609910
N-methyl-3-methylidene-5-(methylideneamino)pent-4-en-1-amine
CID 123334114
N-[1-(3-methyl-1-methylidene-2H-pyridin-1-ium-4-yl)ethenyl]prop-1-en-2-amine
CID 124024238

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine?
The IUPAC name of N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine (CID 90739426) is N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine.
What is the SMILES notation for N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine?
The canonical SMILES for N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine is C=NC=CC(=CC)CNCCCC.
What is the InChIKey of N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine?
The InChIKey is WPBMUAOHSFQTEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-8-13-10-11(5-2)7-9-12-3/h5,7,9,13H,3-4,6,8,10H2,1-2H3.
What are the key properties of N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine?
N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-[2-(methylideneamino)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 90739426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).