N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine

C17H32N4 — CID 79064561

IUPACN,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCCCn1ccnc1C(NC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H32N4/c1-5-13-21-14-12-19-16(21)15(18-2)17(20(3)4)10-8-6-7-9-11-17/h12,14-15,18H,5-11,13H2,1-4H3
InChIKeyRALDRVYPJFOXHA-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.21
Rot. Bonds6

About N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine

N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine (PubChem CID 79064561) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
PubChem CID79064561
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
SMILESCCCn1ccnc1C(NC)C1(N(C)C)CCCCCC1
InChIInChI=1S/C17H32N4/c1-5-13-21-14-12-19-16(21)15(18-2)17(20(3)4)10-8-6-7-9-11-17/h12,14-15,18H,5-11,13H2,1-4H3
InChIKeyRALDRVYPJFOXHA-UHFFFAOYSA-N
XLogP3.21
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N,4-trimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cyclohexan-1-amine
CID 79061796
1-(1-ethylcyclopentyl)-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 115858981
1-[amino-(1-propylimidazol-2-yl)methyl]-N,N-diethylcyclopentan-1-amine
CID 79069803
[(1-ethoxycyclopentyl)-(1-propylimidazol-2-yl)methyl]hydrazine
CID 105275723
1-[1-(ethylamino)-2-(1-propylimidazol-2-yl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 79751938
1-cyclooctyl-N-methyl-1-(1-propylimidazol-2-yl)methanamine
CID 80603549
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560
N-[(1-ethylimidazol-2-yl)-(1-methylcyclopentyl)methyl]propan-1-amine
CID 115860210
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
CID 79080561
2-N,2-N-diethyl-1-N,2-dimethyl-1-(1-propylimidazol-2-yl)propane-1,2-diamine
CID 79055749
1-[1-(dimethylamino)cyclopentyl]-2-(1-ethylimidazol-2-yl)ethanol
CID 79752032
N-[(4-ethoxyoxan-4-yl)-(1-propylimidazol-2-yl)methyl]ethanamine
CID 116765859

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine (CID 79064561) is N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine is CCCn1ccnc1C(NC)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine?
The InChIKey is RALDRVYPJFOXHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-13-21-14-12-19-16(21)15(18-2)17(20(3)4)10-8-6-7-9-11-17/h12,14-15,18H,5-11,13H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine?
N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine has a molecular weight of 292.47 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 79064561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).