(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine

C10H20N2 — CID 138690348

IUPAC(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine
SMILESCC(C)=C/N=C(\C)C(C)[C@@H](C)N
InChIInChI=1S/C10H20N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6,8-9H,11H2,1-5H3/b12-10+/t8?,9-/m1/s1
InChIKeyNDJGLLWOVLKYFJ-ZNPAHANCSA-N
MW168.28 g/mol
LogP2.35
Rot. Bonds3

About (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine

(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine (PubChem CID 138690348) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine.

Molecular Properties

Compound Name(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine
PubChem CID138690348
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine
SMILESCC(C)=C/N=C(\C)C(C)[C@@H](C)N
InChIInChI=1S/C10H20N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6,8-9H,11H2,1-5H3/b12-10+/t8?,9-/m1/s1
InChIKeyNDJGLLWOVLKYFJ-ZNPAHANCSA-N
XLogP2.35
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.35
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

CID 138739536
CID 138739536
CID 153571581
CID 153571581
CID 167520834
CID 167520834
CID 170225150
CID 170225150
CID 153571582
CID 153571582
CID 167520835
CID 167520835

Frequently Asked Questions

What is the IUPAC name of (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine?
The IUPAC name of (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine (CID 138690348) is (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine.
What is the SMILES notation for (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine?
The canonical SMILES for (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine is CC(C)=C/N=C(\C)C(C)[C@@H](C)N.
What is the InChIKey of (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine?
The InChIKey is NDJGLLWOVLKYFJ-ZNPAHANCSA-N. The full InChI is InChI=1S/C10H20N2/c1-7(2)6-12-10(5)8(3)9(4)11/h6,8-9H,11H2,1-5H3/b12-10+/t8?,9-/m1/s1.
What are the key properties of (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine?
(2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine has a molecular weight of 168.28 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-methyl-4-(2-methylprop-1-enylimino)pentan-2-amine is sourced from PubChem (CID 138690348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).