(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine

C11H21N — CID 135231461

IUPAC(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
SMILESCC(C)=C/C=C(\C)N(C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)7-8-11(5)12(6)10(3)4/h7-8,10H,1-6H3/b11-8+
InChIKeyNNBAWLAPSRBDIE-DHZHZOJOSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds3

About (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine

(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine (PubChem CID 135231461) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine.

Molecular Properties

Compound Name(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
PubChem CID135231461
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine
SMILESCC(C)=C/C=C(\C)N(C)C(C)C
InChIInChI=1S/C11H21N/c1-9(2)7-8-11(5)12(6)10(3)4/h7-8,10H,1-6H3/b11-8+
InChIKeyNNBAWLAPSRBDIE-DHZHZOJOSA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine?
The IUPAC name of (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine (CID 135231461) is (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine.
What is the SMILES notation for (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine?
The canonical SMILES for (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine is CC(C)=C/C=C(\C)N(C)C(C)C.
What is the InChIKey of (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine?
The InChIKey is NNBAWLAPSRBDIE-DHZHZOJOSA-N. The full InChI is InChI=1S/C11H21N/c1-9(2)7-8-11(5)12(6)10(3)4/h7-8,10H,1-6H3/b11-8+.
What are the key properties of (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine?
(2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine has a molecular weight of 167.30 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,5-dimethyl-N-propan-2-ylhexa-2,4-dien-2-amine is sourced from PubChem (CID 135231461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).