(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine

C10H17N — CID 88880590

IUPAC(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C/C)[C@@H](C)CN
InChIInChI=1S/C10H17N/c1-4-6-7-10(5-2)9(3)8-11/h4-7,9H,2,8,11H2,1,3H3/b6-4-,10-7+/t9-/m0/s1
InChIKeyOWTQJAMAIUCLMY-PWRSMJIISA-N
MW151.25 g/mol
LogP2.27
Rot. Bonds4

About (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine

(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine (PubChem CID 88880590) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine.

Molecular Properties

Compound Name(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
PubChem CID88880590
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine
SMILESC=C/C(=C\C=C/C)[C@@H](C)CN
InChIInChI=1S/C10H17N/c1-4-6-7-10(5-2)9(3)8-11/h4-7,9H,2,8,11H2,1,3H3/b6-4-,10-7+/t9-/m0/s1
InChIKeyOWTQJAMAIUCLMY-PWRSMJIISA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.27
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;(3Z,5Z)-3-propan-2-ylhepta-1,3,5-triene
CID 142182203
ethane;(3E,5Z)-3-ethenylhepta-3,5-dien-2-ol
CID 143979742
(4E,6Z)-4-ethenyl-2-methylocta-1,4,6-trien-3-amine
CID 145148442
ethane;(2E,4Z)-2-ethenylhexa-2,4-dien-1-amine
CID 143793219
(3Z,5Z)-3-ethenylhepta-3,5-dien-1-amine
CID 88579233
4-ethenyl-3-morpholin-4-ylocta-4,6-dien-1-amine
CID 91378889
2-[(3E)-3-ethenyl-2-methylhexa-3,5-dienyl]-5-[(3E,5Z)-hepta-1,3,5-trien-3-yl]pyridine
CID 144927518
(2R,3E,5Z)-N-benzyl-3-ethenylhepta-3,5-dien-2-amine
CID 170263201
(3E)-3-ethenyl-2-N-methylhexa-3,5-diene-1,2-diamine
CID 143109843
2-[(3E,5Z)-hepta-1,3,5-trien-3-yl]oxyethanamine
CID 167017782
(1Z,3Z,5Z)-3-propan-2-ylhepta-1,3,5-trien-1-amine
CID 126626487
ethane;(5E)-3-ethenylhepta-1,3,5-triene
CID 143978470

Frequently Asked Questions

What is the IUPAC name of (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine?
The IUPAC name of (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine (CID 88880590) is (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine.
What is the SMILES notation for (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine?
The canonical SMILES for (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine is C=C/C(=C\C=C/C)[C@@H](C)CN.
What is the InChIKey of (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine?
The InChIKey is OWTQJAMAIUCLMY-PWRSMJIISA-N. The full InChI is InChI=1S/C10H17N/c1-4-6-7-10(5-2)9(3)8-11/h4-7,9H,2,8,11H2,1,3H3/b6-4-,10-7+/t9-/m0/s1.
What are the key properties of (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine?
(2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine has a molecular weight of 151.25 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3E,5Z)-3-ethenyl-2-methylhepta-3,5-dien-1-amine is sourced from PubChem (CID 88880590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).