(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine

C11H20N2 — CID 123142909

IUPAC(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine
SMILESC=C/C(=C\N=C(/C)CC)CCCN
InChIInChI=1S/C11H20N2/c1-4-10(3)13-9-11(5-2)7-6-8-12/h5,9H,2,4,6-8,12H2,1,3H3/b11-9+,13-10+
InChIKeyUJKKBNXEMKLCQL-HOJJKJLFSA-N
MW180.29 g/mol
LogP2.67
Rot. Bonds6

About (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine

(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine (PubChem CID 123142909) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine.

Molecular Properties

Compound Name(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine
PubChem CID123142909
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine
SMILESC=C/C(=C\N=C(/C)CC)CCCN
InChIInChI=1S/C11H20N2/c1-4-10(3)13-9-11(5-2)7-6-8-12/h5,9H,2,4,6-8,12H2,1,3H3/b11-9+,13-10+
InChIKeyUJKKBNXEMKLCQL-HOJJKJLFSA-N
XLogP2.67
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z)-3-[(propylideneamino)methylidene]pent-4-en-1-amine
CID 89083368
3-[(E)-but-1-enyl]iminopent-4-en-1-amine
CID 145011933
2-Ethenyl-4-methyliminopentan-1-amine
CID 145468051
3-Cyclopentylimino-2-methylpenta-1,4-dien-1-amine
CID 148725137
3-Cyclopentylimino-2-ethylpenta-1,4-dien-1-amine
CID 152978176
ethane;(1Z)-3-ethenylimino-2-methylpenta-1,4-dien-1-amine;propane
CID 153377233
3-[(1Z)-2-ethylbuta-1,3-dienyl]iminobutan-2-amine
CID 156395044
(E)-6-(butan-2-ylideneamino)-2-[(Z)-prop-1-enyl]iminohex-5-en-3-amine
CID 156452009
(Z)-(6-ethenyl-3,4-dihydro-2H-pyridin-5-ylidene)methanamine
CID 162358359
4-Methylidene-3-(2-methyliminopropyl)hex-5-en-1-amine
CID 163515360
ethane;(1Z)-2-(N-ethyl-C-methylcarbonimidoyl)-3-methylidenepenta-1,4-dien-1-amine
CID 169243260
(3Z)-3-[(butylideneamino)methylidene]pent-4-en-1-amine
CID 169647223

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine?
The IUPAC name of (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine (CID 123142909) is (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine.
What is the SMILES notation for (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine?
The canonical SMILES for (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine is C=C/C(=C\N=C(/C)CC)CCCN.
What is the InChIKey of (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine?
The InChIKey is UJKKBNXEMKLCQL-HOJJKJLFSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-10(3)13-9-11(5-2)7-6-8-12/h5,9H,2,4,6-8,12H2,1,3H3/b11-9+,13-10+.
What are the key properties of (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine?
(4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.67, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-4-[(butan-2-ylideneamino)methylidene]hex-5-en-1-amine is sourced from PubChem (CID 123142909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).