N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine

C13H26N2 — CID 75282889

IUPACN-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
SMILESCC(=C/C(C)=N/CC(C)C)NCC(C)C
InChIInChI=1S/C13H26N2/c1-10(2)8-14-12(5)7-13(6)15-9-11(3)4/h7,10-11,14H,8-9H2,1-6H3/b12-7?,15-13+
InChIKeyJUBJQFQETWDFIP-ALMCGZSFSA-N
MW210.36 g/mol
LogP3.25
Rot. Bonds6

About N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine

N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine (PubChem CID 75282889) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine.

Molecular Properties

Compound NameN-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
PubChem CID75282889
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC NameN-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine
SMILESCC(=C/C(C)=N/CC(C)C)NCC(C)C
InChIInChI=1S/C13H26N2/c1-10(2)8-14-12(5)7-13(6)15-9-11(3)4/h7,10-11,14H,8-9H2,1-6H3/b12-7?,15-13+
InChIKeyJUBJQFQETWDFIP-ALMCGZSFSA-N
XLogP3.25
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 ≤ 53.25
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-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine?
The IUPAC name of N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine (CID 75282889) is N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine.
What is the SMILES notation for N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine?
The canonical SMILES for N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine is CC(=C/C(C)=N/CC(C)C)NCC(C)C.
What is the InChIKey of N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine?
The InChIKey is JUBJQFQETWDFIP-ALMCGZSFSA-N. The full InChI is InChI=1S/C13H26N2/c1-10(2)8-14-12(5)7-13(6)15-9-11(3)4/h7,10-11,14H,8-9H2,1-6H3/b12-7?,15-13+.
What are the key properties of N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine?
N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine has a molecular weight of 210.36 g/mol, XLogP of 3.25, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-4-(2-methylpropylimino)pent-2-en-2-amine is sourced from PubChem (CID 75282889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).