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

C8H14N2 — CID 135244602

IUPACN-[1-(methylideneamino)ethenyl]pent-1-en-2-amine
SMILESC=NC(=C)NC(=C)CCC
InChIInChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h10H,2-6H2,1H3
InChIKeyULSIYERMGLYXHP-UHFFFAOYSA-N
MW138.21 g/mol
LogP2.06
Rot. Bonds5

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

N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine (PubChem CID 135244602) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine.

Molecular Properties

Compound NameN-[1-(methylideneamino)ethenyl]pent-1-en-2-amine
PubChem CID135244602
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC NameN-[1-(methylideneamino)ethenyl]pent-1-en-2-amine
SMILESC=NC(=C)NC(=C)CCC
InChIInChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h10H,2-6H2,1H3
InChIKeyULSIYERMGLYXHP-UHFFFAOYSA-N
XLogP2.06
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;N-pent-1-en-2-ylmethanimine
CID 164877658
N-(2,2,2-trifluoroethyl)pent-1-en-2-amine
CID 170178484
N-but-1-en-2-ylbutanamide
CID 159787043
4,5-dimethylideneoctane
CID 13294231
N-methylmethanamine;pent-1-en-2-ol
CID 143709294
hex-1-en-2-ylcarbamic acid
CID 88505899
4,7-dimethylidenedecane
CID 543440
3-chloro-5-[(pent-1-en-2-ylamino)methyl]phenol
CID 166967449
methylidene-[1-(methylideneamino)butylidene]azanium;hydrochloride
CID 173095651
2-(pent-1-en-2-ylamino)propanoic acid
CID 143322782
(E)-2,3,3-trimethyl-N-pent-1-en-2-ylbut-1-en-1-amine
CID 129167754
2-methyl-4-methylidenehept-1-ene
CID 58948030

Frequently Asked Questions

What is the IUPAC name of N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine?
The IUPAC name of N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine (CID 135244602) is N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine.
What is the SMILES notation for N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine?
The canonical SMILES for N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine is C=NC(=C)NC(=C)CCC.
What is the InChIKey of N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine?
The InChIKey is ULSIYERMGLYXHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-5-6-7(2)10-8(3)9-4/h10H,2-6H2,1H3.
What are the key properties of N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine?
N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine has a molecular weight of 138.21 g/mol, XLogP of 2.06, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(methylideneamino)ethenyl]pent-1-en-2-amine is sourced from PubChem (CID 135244602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).