(1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine

C11H21N — CID 155070870

IUPAC(1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine
SMILESCCC=C/C=C\N(C)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10-12(4)11(3)6-2/h7-11H,5-6H2,1-4H3/b8-7?,10-9-
InChIKeyWBRIPPSTVRGUKH-ZFBHTWEGSA-N
MW167.30 g/mol
LogP3.20
Rot. Bonds5

About (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine

(1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine (PubChem CID 155070870) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine.

Molecular Properties

Compound Name(1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine
PubChem CID155070870
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name(1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine
SMILESCCC=C/C=C\N(C)C(C)CC
InChIInChI=1S/C11H21N/c1-5-7-8-9-10-12(4)11(3)6-2/h7-11H,5-6H2,1-4H3/b8-7?,10-9-
InChIKeyWBRIPPSTVRGUKH-ZFBHTWEGSA-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': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine?
The IUPAC name of (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine (CID 155070870) is (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine.
What is the SMILES notation for (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine?
The canonical SMILES for (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine is CCC=C/C=C\N(C)C(C)CC.
What is the InChIKey of (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine?
The InChIKey is WBRIPPSTVRGUKH-ZFBHTWEGSA-N. The full InChI is InChI=1S/C11H21N/c1-5-7-8-9-10-12(4)11(3)6-2/h7-11H,5-6H2,1-4H3/b8-7?,10-9-.
What are the key properties of (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine?
(1Z)-N-butan-2-yl-N-methylhexa-1,3-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 (1Z)-N-butan-2-yl-N-methylhexa-1,3-dien-1-amine is sourced from PubChem (CID 155070870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).