3-methyl-1-propan-2-yliminopent-2-en-2-amine

C9H18N2 — CID 151174112

IUPAC3-methyl-1-propan-2-yliminopent-2-en-2-amine
SMILESCCC(C)=C(N)/C=N/C(C)C
InChIInChI=1S/C9H18N2/c1-5-8(4)9(10)6-11-7(2)3/h6-7H,5,10H2,1-4H3/b9-8?,11-6+
InChIKeyNCXAGZDEWYLGHS-RDJFYALVSA-N
MW154.26 g/mol
LogP2.11
Rot. Bonds3

About 3-methyl-1-propan-2-yliminopent-2-en-2-amine

3-methyl-1-propan-2-yliminopent-2-en-2-amine (PubChem CID 151174112) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is 3-methyl-1-propan-2-yliminopent-2-en-2-amine.

Molecular Properties

Compound Name3-methyl-1-propan-2-yliminopent-2-en-2-amine
PubChem CID151174112
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC Name3-methyl-1-propan-2-yliminopent-2-en-2-amine
SMILESCCC(C)=C(N)/C=N/C(C)C
InChIInChI=1S/C9H18N2/c1-5-8(4)9(10)6-11-7(2)3/h6-7H,5,10H2,1-4H3/b9-8?,11-6+
InChIKeyNCXAGZDEWYLGHS-RDJFYALVSA-N
XLogP2.11
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 52.11
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 3-methyl-1-propan-2-yliminopent-2-en-2-amine?
The IUPAC name of 3-methyl-1-propan-2-yliminopent-2-en-2-amine (CID 151174112) is 3-methyl-1-propan-2-yliminopent-2-en-2-amine.
What is the SMILES notation for 3-methyl-1-propan-2-yliminopent-2-en-2-amine?
The canonical SMILES for 3-methyl-1-propan-2-yliminopent-2-en-2-amine is CCC(C)=C(N)/C=N/C(C)C.
What is the InChIKey of 3-methyl-1-propan-2-yliminopent-2-en-2-amine?
The InChIKey is NCXAGZDEWYLGHS-RDJFYALVSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-8(4)9(10)6-11-7(2)3/h6-7H,5,10H2,1-4H3/b9-8?,11-6+.
What are the key properties of 3-methyl-1-propan-2-yliminopent-2-en-2-amine?
3-methyl-1-propan-2-yliminopent-2-en-2-amine has a molecular weight of 154.26 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-propan-2-yliminopent-2-en-2-amine is sourced from PubChem (CID 151174112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).