N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane

C13H26N2 — CID 145198414

IUPACN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
SMILESC=C(C)/N=C/C(=C)C(C)CCNC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;
InChIKeyVWPKKPFKQFYFHO-FNXZNAJJSA-N
MW210.36 g/mol
LogP3.42
Rot. Bonds6

About N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane

N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane (PubChem CID 145198414) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane.

Molecular Properties

Compound NameN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
PubChem CID145198414
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane
SMILESC=C(C)/N=C/C(=C)C(C)CCNC.CC
InChIInChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;
InChIKeyVWPKKPFKQFYFHO-FNXZNAJJSA-N
XLogP3.42
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The IUPAC name of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane (CID 145198414) is N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane.
What is the SMILES notation for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The canonical SMILES for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane is C=C(C)/N=C/C(=C)C(C)CCNC.CC.
What is the InChIKey of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
The InChIKey is VWPKKPFKQFYFHO-FNXZNAJJSA-N. The full InChI is InChI=1S/C11H20N2.C2H6/c1-9(2)13-8-11(4)10(3)6-7-12-5;1-2/h8,10,12H,1,4,6-7H2,2-3,5H3;1-2H3/b13-8+;.
What are the key properties of N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane?
N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane has a molecular weight of 210.36 g/mol, XLogP of 3.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-(prop-1-en-2-yliminomethyl)pent-4-en-1-amine;ethane is sourced from PubChem (CID 145198414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).