(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine

C16H29N — CID 177001360

IUPAC(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
SMILESC=C/C=C(\C=C/C)C(C)(C)C(C)(N)C(C)(C)C
InChIInChI=1S/C16H29N/c1-9-11-13(12-10-2)15(6,7)16(8,17)14(3,4)5/h9-12H,1,17H2,2-8H3/b12-10-,13-11+
InChIKeyBYUZPAHROLBZLZ-PJABCKPXSA-N
MW235.41 g/mol
LogP4.46
Rot. Bonds4

About (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine

(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine (PubChem CID 177001360) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine.

Molecular Properties

Compound Name(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
PubChem CID177001360
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
SMILESC=C/C=C(\C=C/C)C(C)(C)C(C)(N)C(C)(C)C
InChIInChI=1S/C16H29N/c1-9-11-13(12-10-2)15(6,7)16(8,17)14(3,4)5/h9-12H,1,17H2,2-8H3/b12-10-,13-11+
InChIKeyBYUZPAHROLBZLZ-PJABCKPXSA-N
XLogP4.46
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine
CID 177001359
[(4E)-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-3-yl]phosphane
CID 166918085
(3E,5Z)-4-[fluoro(diiodo)methyl]hepta-1,3,5-triene
CID 167239057
(3E)-2,2-dimethyl-N-oxo-3-[(Z)-prop-1-enyl]hexa-3,5-dienamide
CID 143141302
ethane;[(3E)-2-methyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-yl]benzene
CID 142223865
(3Z,5Z)-hepta-1,3,5-trien-4-amine
CID 171106725
(3E,7Z,9Z)-7-ethenyl-5,5-dimethyl-4-[(Z)-prop-1-enyl]undeca-1,3,7,9-tetraene
CID 143216884
ethane;(4E)-3-ethyl-3-methyl-4-[(Z)-prop-1-enyl]hepta-4,6-dien-1-imine
CID 164862576
(3Z,5E,7E,8Z)-5,7-di(ethylidene)-6-[(2E,4Z)-hexa-2,4-dien-3-yl]-6-methyldeca-1,3,8-triene;ethane
CID 143385248
(3E)-2-methyl-2-propan-2-ylsulfanyl-3-[(Z)-prop-1-enyl]hexa-3,5-dien-1-imine
CID 170030412
(E)-2,5,5-trimethyl-3-[(Z)-prop-1-enyl]hex-3-en-2-amine
CID 129252767
ethane;(3E,6E,8Z)-6-ethenyl-4-[(Z)-prop-1-enyl]-5,5-bis(trifluoromethyl)deca-1,3,6,8-tetraene
CID 145162819

Frequently Asked Questions

What is the IUPAC name of (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The IUPAC name of (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine (CID 177001360) is (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine.
What is the SMILES notation for (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The canonical SMILES for (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine is C=C/C=C(\C=C/C)C(C)(C)C(C)(N)C(C)(C)C.
What is the InChIKey of (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
The InChIKey is BYUZPAHROLBZLZ-PJABCKPXSA-N. The full InChI is InChI=1S/C16H29N/c1-9-11-13(12-10-2)15(6,7)16(8,17)14(3,4)5/h9-12H,1,17H2,2-8H3/b12-10-,13-11+.
What are the key properties of (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine?
(5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine has a molecular weight of 235.41 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-2,2,3,4,4-pentamethyl-5-[(Z)-prop-1-enyl]octa-5,7-dien-3-amine is sourced from PubChem (CID 177001360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).