2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine

C10H19N — CID 23109100

IUPAC2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine
SMILESC=CCC(NC(C)C)C(=C)C
InChIInChI=1S/C10H19N/c1-6-7-10(8(2)3)11-9(4)5/h6,9-11H,1-2,7H2,3-5H3
InChIKeyGRLMRXKBEURAKV-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.51
Rot. Bonds5

About 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine

2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine (PubChem CID 23109100) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine.

Molecular Properties

Compound Name2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine
PubChem CID23109100
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine
SMILESC=CCC(NC(C)C)C(=C)C
InChIInChI=1S/C10H19N/c1-6-7-10(8(2)3)11-9(4)5/h6,9-11H,1-2,7H2,3-5H3
InChIKeyGRLMRXKBEURAKV-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine?
The IUPAC name of 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine (CID 23109100) is 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine.
What is the SMILES notation for 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine?
The canonical SMILES for 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine is C=CCC(NC(C)C)C(=C)C.
What is the InChIKey of 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine?
The InChIKey is GRLMRXKBEURAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-6-7-10(8(2)3)11-9(4)5/h6,9-11H,1-2,7H2,3-5H3.
What are the key properties of 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine?
2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine has a molecular weight of 153.27 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-propan-2-ylhexa-1,5-dien-3-amine is sourced from PubChem (CID 23109100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).