N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine

C17H32N4 — CID 79064560

IUPACN,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCCCn1cc(C(NC)C2(N(C)C)CCCCCC2)cn1
InChIInChI=1S/C17H32N4/c1-5-12-21-14-15(13-19-21)16(18-2)17(20(3)4)10-8-6-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyUHZCQHZPWRYLIC-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.21
Rot. Bonds6

About N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine

N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine (PubChem CID 79064560) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
PubChem CID79064560
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine
SMILESCCCn1cc(C(NC)C2(N(C)C)CCCCCC2)cn1
InChIInChI=1S/C17H32N4/c1-5-12-21-14-15(13-19-21)16(18-2)17(20(3)4)10-8-6-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3
InChIKeyUHZCQHZPWRYLIC-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

1-[hydrazinyl-(1-propylpyrazol-4-yl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243226
N,N-dimethyl-1-[methylamino-(1-methylpyrazol-4-yl)methyl]cyclopentan-1-amine
CID 79069835
1-[(1-ethylpyrazol-4-yl)-(propylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 79061750
[(1-methoxycyclohexyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105275993
[(1-ethylcyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105288552
[(1-methoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]hydrazine
CID 105268662
1-(1-methoxy-4-methylcyclohexyl)-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 116766518
1-(1-ethylcyclopentyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 115816143
N-[(1-ethoxycyclopentyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 116762281
1-cyclooctyl-N-methyl-1-(1-propylpyrazol-4-yl)methanamine
CID 80603467
N,N-dimethyl-1-[methylamino-(1-propylimidazol-2-yl)methyl]cycloheptan-1-amine
CID 79064561
N,N-dimethyl-1-[methylamino-(4-propylphenyl)methyl]cyclopentan-1-amine
CID 79069984

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The IUPAC name of N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine (CID 79064560) is N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine.
What is the SMILES notation for N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The canonical SMILES for N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine is CCCn1cc(C(NC)C2(N(C)C)CCCCCC2)cn1.
What is the InChIKey of N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine?
The InChIKey is UHZCQHZPWRYLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-5-12-21-14-15(13-19-21)16(18-2)17(20(3)4)10-8-6-7-9-11-17/h13-14,16,18H,5-12H2,1-4H3.
What are the key properties of N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-yl)methyl]cycloheptan-1-amine?
N,N-dimethyl-1-[methylamino-(1-propylpyrazol-4-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-propylpyrazol-4-yl)methyl]cycloheptan-1-amine is sourced from PubChem (CID 79064560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).