7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine

C21H41N3 — CID 146243370

IUPAC7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine
SMILESC=C(CCCCC(C)C1NC(=C)NC1CC)NCCCCCCC
InChIInChI=1S/C21H41N3/c1-6-8-9-10-13-16-22-18(4)15-12-11-14-17(3)21-20(7-2)23-19(5)24-21/h17,20-24H,4-16H2,1-3H3
InChIKeyRSHXEAGHFWKQLG-UHFFFAOYSA-N
MW335.58 g/mol
LogP5.07
Rot. Bonds14

About 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine

7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine (PubChem CID 146243370) has the molecular formula C21H41N3 and a molecular weight of 335.58 g/mol. Its IUPAC name is 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine.

Molecular Properties

Compound Name7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine
PubChem CID146243370
Molecular FormulaC21H41N3
Molecular Weight335.58 g/mol
Exact Mass335.33
IUPAC Name7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine
SMILESC=C(CCCCC(C)C1NC(=C)NC1CC)NCCCCCCC
InChIInChI=1S/C21H41N3/c1-6-8-9-10-13-16-22-18(4)15-12-11-14-17(3)21-20(7-2)23-19(5)24-21/h17,20-24H,4-16H2,1-3H3
InChIKeyRSHXEAGHFWKQLG-UHFFFAOYSA-N
XLogP5.07
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500335.58
LogP ≤ 55.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-hept-1-en-2-yl-6-methylheptan-1-amine
CID 155148528
N-hexyloct-1-en-2-amine
CID 169110016
(3S)-7-(dec-1-en-2-ylamino)-3-methylheptan-2-one
CID 163498407
N-butylhept-1-en-2-amine
CID 170620308
ethane;6-methyl-1-N-tetracont-1-en-2-ylhept-6-ene-1,5-diamine
CID 162689305
14-methyl-N-(4-methylpentyl)pentadec-1-en-2-amine
CID 170250998
N-pent-4-enylnonadec-1-en-2-amine
CID 129262643
8-methyl-N-(5-methylhex-1-en-2-yl)nonan-1-amine
CID 167085291
N-(4-methylidenehexyl)hept-1-en-2-amine
CID 167138556
3-N-heptadecyl-1-N,1-N-dipropylbut-3-ene-1,3-diamine
CID 167073154
N-propan-2-yldec-1-en-2-amine
CID 166755614
N-(3-methylbut-1-en-2-yl)hexan-1-amine
CID 129308708

Frequently Asked Questions

What is the IUPAC name of 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine?
The IUPAC name of 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine (CID 146243370) is 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine.
What is the SMILES notation for 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine?
The canonical SMILES for 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine is C=C(CCCCC(C)C1NC(=C)NC1CC)NCCCCCCC.
What is the InChIKey of 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine?
The InChIKey is RSHXEAGHFWKQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H41N3/c1-6-8-9-10-13-16-22-18(4)15-12-11-14-17(3)21-20(7-2)23-19(5)24-21/h17,20-24H,4-16H2,1-3H3.
What are the key properties of 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine?
7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine has a molecular weight of 335.58 g/mol, XLogP of 5.07, 14 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(5-ethyl-2-methylideneimidazolidin-4-yl)-N-heptyloct-1-en-2-amine is sourced from PubChem (CID 146243370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).