(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide

C15H29N5O — CID 139324562

IUPAC(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide
SMILESCCC1CCCN(/C(N)=C(/C=C(/C)N)C(=O)NC(C)N)C1
InChIInChI=1S/C15H29N5O/c1-4-12-6-5-7-20(9-12)14(18)13(8-10(2)16)15(21)19-11(3)17/h8,11-12H,4-7,9,16-18H2,1-3H3,(H,19,21)/b10-8-,14-13-
InChIKeyNNUCKADSWNMWDD-URCZFJKLSA-N
MW295.43 g/mol
LogP0.56
Rot. Bonds5

About (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide

(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide (PubChem CID 139324562) has the molecular formula C15H29N5O and a molecular weight of 295.43 g/mol. Its IUPAC name is (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide.

Molecular Properties

Compound Name(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide
PubChem CID139324562
Molecular FormulaC15H29N5O
Molecular Weight295.43 g/mol
Exact Mass295.24
IUPAC Name(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide
SMILESCCC1CCCN(/C(N)=C(/C=C(/C)N)C(=O)NC(C)N)C1
InChIInChI=1S/C15H29N5O/c1-4-12-6-5-7-20(9-12)14(18)13(8-10(2)16)15(21)19-11(3)17/h8,11-12H,4-7,9,16-18H2,1-3H3,(H,19,21)/b10-8-,14-13-
InChIKeyNNUCKADSWNMWDD-URCZFJKLSA-N
XLogP0.56
TPSA110.40 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 50.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(Z,2Z)-4-amino-2-[amino-(3-aminopyrrolidin-1-yl)methylidene]-N-[amino(cyclopropyl)methyl]pent-3-enamide
CID 139324411
(2S)-5-amino-2-[(3-ethylpiperidine-1-carbonyl)amino]-5-oxopentanoic acid
CID 61200860
(2S)-2-[(3-ethylpiperidine-1-carbonyl)amino]-4-methylpentanoic acid
CID 61203541
cyclopropyl-[(3R)-3-ethylpiperidin-1-yl]methanone
CID 176933785
N,3-diethyl-N-methylpiperidine-1-carboxamide
CID 116654344
N-(2-aminoethyl)-3-ethyl-N-methylpiperidine-1-carboxamide
CID 82508730
(4-aminocyclohexyl)-(3-ethylpiperidin-1-yl)methanone
CID 60846917
3-ethyl-N-(4-hydroxy-1-phenylbutyl)piperidine-1-carboxamide
CID 111456099
1-(3-ethylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 62490949
N-[1-(3,5-dimethylpiperidin-1-yl)propan-2-yl]-3-ethylpiperidine-1-carboxamide
CID 102555348
2-amino-1-(3-ethylpiperidin-1-yl)-2-phenylethanone
CID 43584547
N-[[(3R)-1-[(2S)-2-aminopropanoyl]piperidin-3-yl]methyl]acetamide
CID 96554564

Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide?
The IUPAC name of (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide (CID 139324562) is (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide.
What is the SMILES notation for (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide?
The canonical SMILES for (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide is CCC1CCCN(/C(N)=C(/C=C(/C)N)C(=O)NC(C)N)C1.
What is the InChIKey of (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide?
The InChIKey is NNUCKADSWNMWDD-URCZFJKLSA-N. The full InChI is InChI=1S/C15H29N5O/c1-4-12-6-5-7-20(9-12)14(18)13(8-10(2)16)15(21)19-11(3)17/h8,11-12H,4-7,9,16-18H2,1-3H3,(H,19,21)/b10-8-,14-13-.
What are the key properties of (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide?
(Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide has a molecular weight of 295.43 g/mol, XLogP of 0.56, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-4-amino-N-(1-aminoethyl)-2-[amino-(3-ethylpiperidin-1-yl)methylidene]pent-3-enamide is sourced from PubChem (CID 139324562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).