N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide

C19H30N4 — CID 143604855

IUPACN-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
SMILESCCC1=C(N/C(=N/C)N2CCNCC2C(C)C)C=CC=CC=C1
InChIInChI=1S/C19H30N4/c1-5-16-10-8-6-7-9-11-17(16)22-19(20-4)23-13-12-21-14-18(23)15(2)3/h6-11,15,18,21H,5,12-14H2,1-4H3,(H,20,22)
InChIKeyGCIRYDNFTZLTOO-UHFFFAOYSA-N
MW314.48 g/mol
LogP2.84
Rot. Bonds3

About N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide

N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide (PubChem CID 143604855) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide.

Molecular Properties

Compound NameN-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
PubChem CID143604855
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC NameN-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
SMILESCCC1=C(N/C(=N/C)N2CCNCC2C(C)C)C=CC=CC=C1
InChIInChI=1S/C19H30N4/c1-5-16-10-8-6-7-9-11-17(16)22-19(20-4)23-13-12-21-14-18(23)15(2)3/h6-11,15,18,21H,5,12-14H2,1-4H3,(H,20,22)
InChIKeyGCIRYDNFTZLTOO-UHFFFAOYSA-N
XLogP2.84
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

methyl-[4-methyl-5-[(2E,4Z,6R)-6-methylocta-2,4-dien-2-yl]-2-piperazin-1-yl-4H-pyrimidin-3-yl]diazene
CID 88907781
ethane;N-[(1E,3Z,5Z,7E)-8-ethylcycloocta-1,3,5,7-tetraen-1-yl]-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide
CID 143604854
6-methylidene-5-[(Z)-3-methylpent-1-enyl]-4-piperazin-1-yl-1H-pyrimidine
CID 172616648
4-(1,4,4a,8a-tetrahydroquinoxalin-2-yl)-N'-methanimidoyl-N-(5-methylcyclohexa-1,3-dien-1-yl)-2-propan-2-ylpiperazine-1-carboximidamide
CID 176539405
1-Cyclopent-3-en-1-yl-2-methyl-3-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109770181
1-Cyclopent-3-en-1-yl-3-ethyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]guanidine
CID 109770855
N'-ethyl-N'-(3-ethyl-6-methylidene-5,7-dihydro-4H-pyrido[4,3-d][1,3]diazepin-2-yl)-N-methylethane-1,2-diamine
CID 141771399

Frequently Asked Questions

What is the IUPAC name of N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide?
The IUPAC name of N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide (CID 143604855) is N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide.
What is the SMILES notation for N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide?
The canonical SMILES for N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide is CCC1=C(N/C(=N/C)N2CCNCC2C(C)C)C=CC=CC=C1.
What is the InChIKey of N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide?
The InChIKey is GCIRYDNFTZLTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-5-16-10-8-6-7-9-11-17(16)22-19(20-4)23-13-12-21-14-18(23)15(2)3/h6-11,15,18,21H,5,12-14H2,1-4H3,(H,20,22).
What are the key properties of N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide?
N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide has a molecular weight of 314.48 g/mol, XLogP of 2.84, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylcycloocta-1,3,5,7-tetraen-1-yl)-N'-methyl-2-propan-2-ylpiperazine-1-carboximidamide is sourced from PubChem (CID 143604855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).