(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide

C17H26N2 — CID 143573141

IUPAC(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide
SMILES[H]/N=C(/C=C\CC1=CC=CC=CC1)N(CCC)CCC
InChIInChI=1S/C17H26N2/c1-3-14-19(15-4-2)17(18)13-9-12-16-10-7-5-6-8-11-16/h5-10,13,18H,3-4,11-12,14-15H2,1-2H3/b13-9-,18-17-
InChIKeyTWEDIRMSNOIGFU-LTVWWZOSSA-N
MW258.41 g/mol
LogP4.47
Rot. Bonds7

About (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide

(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide (PubChem CID 143573141) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide.

Molecular Properties

Compound Name(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide
PubChem CID143573141
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC Name(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide
SMILES[H]/N=C(/C=C\CC1=CC=CC=CC1)N(CCC)CCC
InChIInChI=1S/C17H26N2/c1-3-14-19(15-4-2)17(18)13-9-12-16-10-7-5-6-8-11-16/h5-10,13,18H,3-4,11-12,14-15H2,1-2H3/b13-9-,18-17-
InChIKeyTWEDIRMSNOIGFU-LTVWWZOSSA-N
XLogP4.47
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

N,N-diethyl-2-ethylidene-4-methylpent-3-enimidamide
CID 123919129
(2Z,4Z)-4-methyl-1-pyrrolidin-1-ylhexa-2,4-dien-1-imine
CID 129041517
1-(4-Methyl-2,3,6,7-tetrahydroazepin-1-yl)prop-2-en-1-imine
CID 137507598
ethane;N-ethyl-N,5-dimethylcyclohepta-1,4,6-triene-1-carboximidamide
CID 141997058
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide;ethane;prop-1-ene
CID 142132141
N-(2-cyclohexa-1,3-dien-1-ylethyl)-N-methylethanimidamide
CID 142132142
N-(2-cyclohexa-1,5-dien-1-ylethyl)-N-methylethanimidamide
CID 142132215
1,5-dimethyl-2H-azepin-7-imine
CID 146613994
N-methyl-N-[2-(2-methylcyclohexa-1,3-dien-1-yl)ethyl]cyclopenta-1,3-diene-1-carboximidamide
CID 146614260
1-But-1-en-2-yl-4-ethylpyridin-2-imine
CID 169252177
1-[(2E,4E,8Z)-deca-2,4,8-trienyl]-4-methylpyridin-2-imine
CID 170271348
(2Z,4E)-4-methyl-1-piperidin-1-ylhexa-2,4-dien-1-imine
CID 177982841

Frequently Asked Questions

What is the IUPAC name of (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide?
The IUPAC name of (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide (CID 143573141) is (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide.
What is the SMILES notation for (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide?
The canonical SMILES for (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide is [H]/N=C(/C=C\CC1=CC=CC=CC1)N(CCC)CCC.
What is the InChIKey of (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide?
The InChIKey is TWEDIRMSNOIGFU-LTVWWZOSSA-N. The full InChI is InChI=1S/C17H26N2/c1-3-14-19(15-4-2)17(18)13-9-12-16-10-7-5-6-8-11-16/h5-10,13,18H,3-4,11-12,14-15H2,1-2H3/b13-9-,18-17-.
What are the key properties of (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide?
(Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide has a molecular weight of 258.41 g/mol, XLogP of 4.47, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-cyclohepta-1,3,5-trien-1-yl-N,N-dipropylbut-2-enimidamide is sourced from PubChem (CID 143573141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).