(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine

C11H21N — CID 170009595

IUPAC(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine
SMILESCC/C=C\C/C=C/N(C)C(C)C
InChIInChI=1S/C11H21N/c1-5-6-7-8-9-10-12(4)11(2)3/h6-7,9-11H,5,8H2,1-4H3/b7-6-,10-9+
InChIKeyKRZDOVKNXKVXGN-IXWMQOLASA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds5

About (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine

(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine (PubChem CID 170009595) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine.

Molecular Properties

Compound Name(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine
PubChem CID170009595
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine
SMILESCC/C=C\C/C=C/N(C)C(C)C
InChIInChI=1S/C11H21N/c1-5-6-7-8-9-10-12(4)11(2)3/h6-7,9-11H,5,8H2,1-4H3/b7-6-,10-9+
InChIKeyKRZDOVKNXKVXGN-IXWMQOLASA-N
XLogP3.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine?
The IUPAC name of (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine (CID 170009595) is (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine.
What is the SMILES notation for (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine?
The canonical SMILES for (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine is CC/C=C\C/C=C/N(C)C(C)C.
What is the InChIKey of (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine?
The InChIKey is KRZDOVKNXKVXGN-IXWMQOLASA-N. The full InChI is InChI=1S/C11H21N/c1-5-6-7-8-9-10-12(4)11(2)3/h6-7,9-11H,5,8H2,1-4H3/b7-6-,10-9+.
What are the key properties of (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine?
(1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine has a molecular weight of 167.30 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1E,4Z)-N-methyl-N-propan-2-ylhepta-1,4-dien-1-amine is sourced from PubChem (CID 170009595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).