N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine

C12H22N2 — CID 91043740

IUPACN-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine
SMILESC=C/C=N/C(=CC)CNCCCCC
InChIInChI=1S/C12H22N2/c1-4-7-8-10-13-11-12(6-3)14-9-5-2/h5-6,9,13H,2,4,7-8,10-11H2,1,3H3/b12-6?,14-9+
InChIKeyIDXAGWBKBLWPSW-OPSLHFTBSA-N
MW194.32 g/mol
LogP2.93
Rot. Bonds8

About N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine

N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine (PubChem CID 91043740) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine.

Molecular Properties

Compound NameN-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine
PubChem CID91043740
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine
SMILESC=C/C=N/C(=CC)CNCCCCC
InChIInChI=1S/C12H22N2/c1-4-7-8-10-13-11-12(6-3)14-9-5-2/h5-6,9,13H,2,4,7-8,10-11H2,1,3H3/b12-6?,14-9+
InChIKeyIDXAGWBKBLWPSW-OPSLHFTBSA-N
XLogP2.93
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.93
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'}

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Related Compounds

N-[2-(ethylideneamino)prop-2-enyl]cyclohexanamine
CID 118426098
(2E,4Z)-N-[(Z)-2-(prop-2-enylideneamino)but-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695562
(2E,4Z)-N-[2-(prop-2-enylideneamino)prop-2-enyl]hepta-2,4,6-trien-3-amine
CID 126695578
(E)-3-[[(Z)-but-2-enylidene]amino]-N-ethylbut-2-en-1-amine;ethane
CID 141862799
(E)-3-[[(Z)-but-2-enylidene]amino]-N-ethylbut-2-en-1-amine
CID 141862800
N-[2-[[(2Z)-penta-2,4-dienylidene]amino]ethyl]pentan-1-amine
CID 142587422
3-N-pentyl-2H-pyrrole-3,5-diamine
CID 142800844
(Z)-N-methyl-2-(prop-2-enylideneamino)but-2-en-1-amine
CID 142987756
N'-[(3E)-5-methyliminopenta-1,3-dien-3-yl]ethane-1,2-diamine
CID 143099431
(3E)-5-methylimino-N-propylpenta-1,3-dien-3-amine
CID 143106677
(2Z)-2-(methylideneamino)-N-pentylpenta-2,4-dien-1-amine
CID 143870555
4-N-butyl-2H-azepine-2,4-diamine
CID 146653296

Frequently Asked Questions

What is the IUPAC name of N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine?
The IUPAC name of N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine (CID 91043740) is N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine.
What is the SMILES notation for N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine?
The canonical SMILES for N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine is C=C/C=N/C(=CC)CNCCCCC.
What is the InChIKey of N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine?
The InChIKey is IDXAGWBKBLWPSW-OPSLHFTBSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-7-8-10-13-11-12(6-3)14-9-5-2/h5-6,9,13H,2,4,7-8,10-11H2,1,3H3/b12-6?,14-9+.
What are the key properties of N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine?
N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.93, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(prop-2-enylideneamino)but-2-enyl]pentan-1-amine is sourced from PubChem (CID 91043740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).