N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine

C13H25N3 — CID 103009586

IUPACN,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCNC(CCc1cnn(C)c1)CCC(C)C
InChIInChI=1S/C13H25N3/c1-11(2)5-7-13(14-3)8-6-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWYFHSNNAZOAASQ-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

About N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine

N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine (PubChem CID 103009586) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine.

Molecular Properties

Compound NameN,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
PubChem CID103009586
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCNC(CCc1cnn(C)c1)CCC(C)C
InChIInChI=1S/C13H25N3/c1-11(2)5-7-13(14-3)8-6-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3
InChIKeyWYFHSNNAZOAASQ-UHFFFAOYSA-N
XLogP2.38
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-1-(4-methylphenyl)-5-(1-methylpyrazol-4-yl)pentan-3-amine
CID 103030182
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
6-methoxy-N-methyl-1-(1-methylpyrazol-4-yl)hexan-3-amine
CID 103010409
N-methyl-1-(1-methylpyrazol-4-yl)-5-propoxypentan-3-amine
CID 103029700
N-methyl-1-(1-methylpyrazol-4-yl)-4-phenylbutan-2-amine
CID 62126117
N-methyl-4-(1-methylpyrazol-4-yl)-1-pyridin-3-ylbutan-2-amine
CID 103009789
N,3-dimethyl-5-(1-methylpyrazol-4-yl)pentan-1-amine
CID 103019750
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
2-N-ethyl-1-N,1-N-dimethyl-4-(1-methylpyrazol-4-yl)butane-1,2-diamine
CID 103011226
3-methyl-N-(2-methylpropyl)-2-[2-(1-methylpyrazol-4-yl)ethyl]butan-1-amine
CID 103014335
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
N-methyl-3-(1-methylpyrazol-4-yl)-1-(4-propan-2-ylcyclohexyl)propan-1-amine
CID 103010653

Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The IUPAC name of N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine (CID 103009586) is N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine.
What is the SMILES notation for N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The canonical SMILES for N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine is CNC(CCc1cnn(C)c1)CCC(C)C.
What is the InChIKey of N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
The InChIKey is WYFHSNNAZOAASQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-11(2)5-7-13(14-3)8-6-12-9-15-16(4)10-12/h9-11,13-14H,5-8H2,1-4H3.
What are the key properties of N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine?
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine has a molecular weight of 223.36 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine is sourced from PubChem (CID 103009586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).