(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide

C20H31N5O — CID 143882857

IUPAC(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide
SMILESCCN/C=C(\N)CCCc1cnc[nH]1.O=CNCCCc1ccccc1
InChIInChI=1S/C10H18N4.C10H13NO/c1-2-12-6-9(11)4-3-5-10-7-13-8-14-10;12-9-11-8-4-7-10-5-2-1-3-6-10/h6-8,12H,2-5,11H2,1H3,(H,13,14);1-3,5-6,9H,4,7-8H2,(H,11,12)/b9-6-;
InChIKeyIKCDQUWORYDNDE-BORNJIKYSA-N
MW357.50 g/mol
LogP2.51
Rot. Bonds11

About (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide

(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide (PubChem CID 143882857) has the molecular formula C20H31N5O and a molecular weight of 357.50 g/mol. Its IUPAC name is (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide.

Molecular Properties

Compound Name(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide
PubChem CID143882857
Molecular FormulaC20H31N5O
Molecular Weight357.50 g/mol
Exact Mass357.25
IUPAC Name(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide
SMILESCCN/C=C(\N)CCCc1cnc[nH]1.O=CNCCCc1ccccc1
InChIInChI=1S/C10H18N4.C10H13NO/c1-2-12-6-9(11)4-3-5-10-7-13-8-14-10;12-9-11-8-4-7-10-5-2-1-3-6-10/h6-8,12H,2-5,11H2,1H3,(H,13,14);1-3,5-6,9H,4,7-8H2,(H,11,12)/b9-6-;
InChIKeyIKCDQUWORYDNDE-BORNJIKYSA-N
XLogP2.51
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.50
LogP ≤ 52.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine
CID 143882858
5-(3-phenylpropyl)-1H-imidazole
CID 10035345
N-[2-(1H-imidazol-5-yl)ethyl]-4-phenylbutan-1-amine
CID 10377137
N-[2-(1H-imidazol-5-yl)ethyl]-2-phenylethanamine
CID 11820597
2-amino-3-(1H-imidazol-5-yl)-N-(3-phenylpropyl)propanamide
CID 156533932
N-benzyl-5-[2-(1H-imidazol-5-yl)ethylamino]pentanamide
CID 24755417
5-[3-(3-phenylpropylsulfinyl)propyl]-1H-imidazole
CID 10850088
1-[3-(1H-imidazol-5-yl)propoxy]-1-(3-phenylpropyl)urea
CID 23219010
N-(4-oxobutyl)formamide;2-phenylethanol
CID 175298453
N-benzyl-N-[3-(1H-imidazol-5-yl)propyl]formamide
CID 142002691
(2S)-N-[(2R)-1-amino-1-oxopropan-2-yl]-5-(diaminomethylideneamino)-2-[[(2R)-2-[[(2S)-3-(1H-imidazol-5-yl)-2-(4-phenylbutanoylamino)propanoyl]amino]-3-phenylpropanoyl]amino]pentanamide
CID 142577071
3-(1H-imidazol-5-yl)propyl N'-(2-phenylethyl)carbamimidothioate
CID 10085528

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide?
The IUPAC name of (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide (CID 143882857) is (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide.
What is the SMILES notation for (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide?
The canonical SMILES for (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide is CCN/C=C(\N)CCCc1cnc[nH]1.O=CNCCCc1ccccc1.
What is the InChIKey of (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide?
The InChIKey is IKCDQUWORYDNDE-BORNJIKYSA-N. The full InChI is InChI=1S/C10H18N4.C10H13NO/c1-2-12-6-9(11)4-3-5-10-7-13-8-14-10;12-9-11-8-4-7-10-5-2-1-3-6-10/h6-8,12H,2-5,11H2,1H3,(H,13,14);1-3,5-6,9H,4,7-8H2,(H,11,12)/b9-6-;.
What are the key properties of (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide?
(Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide has a molecular weight of 357.50 g/mol, XLogP of 2.51, 11 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-5-(1H-imidazol-5-yl)pent-1-ene-1,2-diamine;N-(3-phenylpropyl)formamide is sourced from PubChem (CID 143882857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).