N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide

C15H25N3 — CID 155027595

IUPACN'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide
SMILESC=C(C)N(CC/N=C(\C)N)C(=C)/C(C)=C\C=C/C
InChIInChI=1S/C15H25N3/c1-7-8-9-13(4)14(5)18(12(2)3)11-10-17-15(6)16/h7-9H,2,5,10-11H2,1,3-4,6H3,(H2,16,17)/b8-7-,13-9-
InChIKeyNGFUVNABQMUJHE-VBKTUFRMSA-N
MW247.39 g/mol
LogP3.24
Rot. Bonds7

About N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide

N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide (PubChem CID 155027595) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide
PubChem CID155027595
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC NameN'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide
SMILESC=C(C)N(CC/N=C(\C)N)C(=C)/C(C)=C\C=C/C
InChIInChI=1S/C15H25N3/c1-7-8-9-13(4)14(5)18(12(2)3)11-10-17-15(6)16/h7-9H,2,5,10-11H2,1,3-4,6H3,(H2,16,17)/b8-7-,13-9-
InChIKeyNGFUVNABQMUJHE-VBKTUFRMSA-N
XLogP3.24
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide?
The IUPAC name of N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide (CID 155027595) is N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide?
The canonical SMILES for N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide is C=C(C)N(CC/N=C(\C)N)C(=C)/C(C)=C\C=C/C.
What is the InChIKey of N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide?
The InChIKey is NGFUVNABQMUJHE-VBKTUFRMSA-N. The full InChI is InChI=1S/C15H25N3/c1-7-8-9-13(4)14(5)18(12(2)3)11-10-17-15(6)16/h7-9H,2,5,10-11H2,1,3-4,6H3,(H2,16,17)/b8-7-,13-9-.
What are the key properties of N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide?
N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide has a molecular weight of 247.39 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-[[(3Z,5Z)-3-methylhepta-1,3,5-trien-2-yl]-prop-1-en-2-ylamino]ethyl]ethanimidamide is sourced from PubChem (CID 155027595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).