N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

C16H32IN3O — CID 111756781

IUPACN'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCCOC1(CN/C(=N/C)N2CCCC2)CCCCC1.I
InChIInChI=1S/C16H31N3O.HI/c1-3-13-20-16(9-5-4-6-10-16)14-18-15(17-2)19-11-7-8-12-19;/h3-14H2,1-2H3,(H,17,18);1H
InChIKeyZCWJCVPZEDYHFI-UHFFFAOYSA-N
MW409.36 g/mol
LogP3.41
Rot. Bonds5

About N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide

N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111756781) has the molecular formula C16H32IN3O and a molecular weight of 409.36 g/mol. Its IUPAC name is N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111756781
Molecular FormulaC16H32IN3O
Molecular Weight409.36 g/mol
Exact Mass409.16
IUPAC NameN'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
SMILESCCCOC1(CN/C(=N/C)N2CCCC2)CCCCC1.I
InChIInChI=1S/C16H31N3O.HI/c1-3-13-20-16(9-5-4-6-10-16)14-18-15(17-2)19-11-7-8-12-19;/h3-14H2,1-2H3,(H,17,18);1H
InChIKeyZCWJCVPZEDYHFI-UHFFFAOYSA-N
XLogP3.41
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.36
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(1-methoxypropan-2-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
CID 111756964
N-ethyl-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
CID 131039665
1-(1,1-dioxothiolan-3-yl)-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 111756895
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine
CID 111757094
(2S)-2-amino-3,3-dimethyl-N-[(1-propoxycyclohexyl)methyl]butanamide
CID 119819509
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 109430128
2-methyl-N-[(1-propoxycyclopentyl)methyl]propan-2-amine
CID 62107466
4-hydroxy-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-2-carboxamide
CID 119819505
2-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-ethyl-3-[(1-propoxycyclohexyl)methyl]guanidine;hydroiodide
CID 109428612
N-methyl-1-[1-(2-propoxyethoxy)cyclohexyl]methanamine
CID 63685434
(1-propoxycyclobutyl)methanol
CID 151153124
4-(methoxymethyl)-N-[(1-propoxycyclohexyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120638673

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide (CID 111756781) is N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is CCCOC1(CN/C(=N/C)N2CCCC2)CCCCC1.I.
What is the InChIKey of N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is ZCWJCVPZEDYHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O.HI/c1-3-13-20-16(9-5-4-6-10-16)14-18-15(17-2)19-11-7-8-12-19;/h3-14H2,1-2H3,(H,17,18);1H.
What are the key properties of N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide?
N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 409.36 g/mol, XLogP of 3.41, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(1-propoxycyclohexyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111756781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).