6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol

C17H31NO — CID 146671958

IUPAC6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol
SMILESC=C(/C=C\CC)N(CCCCCCO)C(C)/C=C\C
InChIInChI=1S/C17H31NO/c1-5-7-13-17(4)18(16(3)12-6-2)14-10-8-9-11-15-19/h6-7,12-13,16,19H,4-5,8-11,14-15H2,1-3H3/b12-6-,13-7-
InChIKeyIRCSZXNIDFYSRX-QXFGSWAMSA-N
MW265.44 g/mol
LogP4.29
Rot. Bonds11

About 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol

6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol (PubChem CID 146671958) has the molecular formula C17H31NO and a molecular weight of 265.44 g/mol. Its IUPAC name is 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol.

Molecular Properties

Compound Name6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol
PubChem CID146671958
Molecular FormulaC17H31NO
Molecular Weight265.44 g/mol
Exact Mass265.24
IUPAC Name6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol
SMILESC=C(/C=C\CC)N(CCCCCCO)C(C)/C=C\C
InChIInChI=1S/C17H31NO/c1-5-7-13-17(4)18(16(3)12-6-2)14-10-8-9-11-15-19/h6-7,12-13,16,19H,4-5,8-11,14-15H2,1-3H3/b12-6-,13-7-
InChIKeyIRCSZXNIDFYSRX-QXFGSWAMSA-N
XLogP4.29
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol?
The IUPAC name of 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol (CID 146671958) is 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol.
What is the SMILES notation for 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol?
The canonical SMILES for 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol is C=C(/C=C\CC)N(CCCCCCO)C(C)/C=C\C.
What is the InChIKey of 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol?
The InChIKey is IRCSZXNIDFYSRX-QXFGSWAMSA-N. The full InChI is InChI=1S/C17H31NO/c1-5-7-13-17(4)18(16(3)12-6-2)14-10-8-9-11-15-19/h6-7,12-13,16,19H,4-5,8-11,14-15H2,1-3H3/b12-6-,13-7-.
What are the key properties of 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol?
6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol has a molecular weight of 265.44 g/mol, XLogP of 4.29, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3Z)-hexa-1,3-dien-2-yl]-[(Z)-pent-3-en-2-yl]amino]hexan-1-ol is sourced from PubChem (CID 146671958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).