N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine

C15H28N4 — CID 79080561

IUPACN,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
SMILESCNC(c1ccnn1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H28N4/c1-16-14(13-9-12-17-19(13)4)15(18(2)3)10-7-5-6-8-11-15/h9,12,14,16H,5-8,10-11H2,1-4H3
InChIKeySAAHCYNWXRNISD-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.34
Rot. Bonds4

About N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine

N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine (PubChem CID 79080561) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
PubChem CID79080561
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC NameN,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine
SMILESCNC(c1ccnn1C)C1(N(C)C)CCCCCC1
InChIInChI=1S/C15H28N4/c1-16-14(13-9-12-17-19(13)4)15(18(2)3)10-7-5-6-8-11-15/h9,12,14,16H,5-8,10-11H2,1-4H3
InChIKeySAAHCYNWXRNISD-UHFFFAOYSA-N
XLogP2.34
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(dimethylamino)cyclopentyl]-(2-methylpyrazol-3-yl)methanol
CID 79068264
N,N-dimethyl-1-[methylamino-(3-methyltriazol-4-yl)methyl]cyclohexan-1-amine
CID 114688405
N,N-diethyl-1-[hydrazinyl-(2-methylpyrazol-3-yl)methyl]cyclopentan-1-amine
CID 105242582
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcycloheptan-1-amine
CID 114657117
1-[(4-chloro-1-methylpyrazol-5-yl)-(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 114657058
N-[(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 115858855
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
1-[(2-ethylpyrazol-3-yl)-hydrazinylmethyl]-N,N-dimethylcycloheptan-1-amine
CID 105243858
N-[(1-ethoxycyclohexyl)-(2-methylpyrazol-3-yl)methyl]ethanamine
CID 116764059
1-[hydroxy-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-ol
CID 103451942
(1-methylcyclopentyl)-(2-methylpyrazol-3-yl)methanamine
CID 115858366
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
CID 79064560

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine (CID 79080561) is N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine is CNC(c1ccnn1C)C1(N(C)C)CCCCCC1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
The InChIKey is SAAHCYNWXRNISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-16-14(13-9-12-17-19(13)4)15(18(2)3)10-7-5-6-8-11-15/h9,12,14,16H,5-8,10-11H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine?
N,N-dimethyl-1-[methylamino-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.34, 4 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-(2-methylpyrazol-3-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 79080561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).