(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide

C18H28N4O — CID 155586454

IUPAC(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
SMILESCC(C)(C)/C(N)=C/C(N)=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H28N4O/c1-18(2,3)16(19)12-17(20)21-15-6-4-14(5-7-15)13-22-8-10-23-11-9-22/h4-7,12H,8-11,13,19H2,1-3H3,(H2,20,21)/b16-12-
InChIKeyAIUBIFCNBIZHDC-VBKFSLOCSA-N
MW316.45 g/mol
LogP2.40
Rot. Bonds4

About (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide

(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide (PubChem CID 155586454) has the molecular formula C18H28N4O and a molecular weight of 316.45 g/mol. Its IUPAC name is (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
PubChem CID155586454
Molecular FormulaC18H28N4O
Molecular Weight316.45 g/mol
Exact Mass316.23
IUPAC Name(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide
SMILESCC(C)(C)/C(N)=C/C(N)=N/c1ccc(CN2CCOCC2)cc1
InChIInChI=1S/C18H28N4O/c1-18(2,3)16(19)12-17(20)21-15-6-4-14(5-7-15)13-22-8-10-23-11-9-22/h4-7,12H,8-11,13,19H2,1-3H3,(H2,20,21)/b16-12-
InChIKeyAIUBIFCNBIZHDC-VBKFSLOCSA-N
XLogP2.40
TPSA76.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.45
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 68861466
2-[4-(morpholin-4-ylmethyl)phenyl]propan-2-amine
CID 82026958
4-[[4-(2,2-dimethylpropyl)phenyl]methyl]morpholine
CID 59743834
2-[[4-(morpholin-4-ylmethyl)phenyl]iminomethyl]phenol
CID 135758569
[4-(morpholin-4-ylmethyl)phenyl] carbamate
CID 175493722
2-methyl-1-[4-(morpholin-4-ylmethyl)phenyl]guanidine
CID 89193384
2-methyl-1-[[4-(morpholin-4-ylmethyl)phenyl]methyl]guanidine
CID 110913818
N'-(3,3-dimethylcyclobutyl)oxy-4-(morpholin-4-ylmethyl)benzenecarboximidamide
CID 155953651
methyl 4-(morpholin-4-ylmethyl)benzoate
CID 10466592
4-[4-(morpholin-4-ylmethyl)phenyl]phenol
CID 39226445
N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]hydroxylamine
CID 117318560
4-(morpholin-4-ylmethyl)-N-[(Z)-[4-[(Z)-[[4-(morpholin-4-ylmethyl)benzoyl]hydrazinylidene]methyl]phenyl]methylideneamino]benzamide
CID 98123916

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide?
The IUPAC name of (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide (CID 155586454) is (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide?
The canonical SMILES for (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide is CC(C)(C)/C(N)=C/C(N)=N/c1ccc(CN2CCOCC2)cc1.
What is the InChIKey of (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide?
The InChIKey is AIUBIFCNBIZHDC-VBKFSLOCSA-N. The full InChI is InChI=1S/C18H28N4O/c1-18(2,3)16(19)12-17(20)21-15-6-4-14(5-7-15)13-22-8-10-23-11-9-22/h4-7,12H,8-11,13,19H2,1-3H3,(H2,20,21)/b16-12-.
What are the key properties of (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide?
(Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide has a molecular weight of 316.45 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-4,4-dimethyl-N'-[4-(morpholin-4-ylmethyl)phenyl]pent-2-enimidamide is sourced from PubChem (CID 155586454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).