N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine

C13H25N3 — CID 103030518

IUPACN,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
SMILESCCC(C)CC(CCc1ccnn1C)NC
InChIInChI=1S/C13H25N3/c1-5-11(2)10-12(14-3)6-7-13-8-9-15-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyLMDVNESRCYOICB-UHFFFAOYSA-N
MW223.36 g/mol
LogP2.38
Rot. Bonds7

About N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine

N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine (PubChem CID 103030518) has the molecular formula C13H25N3 and a molecular weight of 223.36 g/mol. Its IUPAC name is N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine.

Molecular Properties

Compound NameN,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
PubChem CID103030518
Molecular FormulaC13H25N3
Molecular Weight223.36 g/mol
Exact Mass223.20
IUPAC NameN,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine
SMILESCCC(C)CC(CCc1ccnn1C)NC
InChIInChI=1S/C13H25N3/c1-5-11(2)10-12(14-3)6-7-13-8-9-15-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3
InChIKeyLMDVNESRCYOICB-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

5-methyl-1-(2-methylpyrazol-3-yl)heptan-3-ol
CID 103028111
N-ethyl-5,7,7-trimethyl-1-(2-methylpyrazol-3-yl)octan-3-amine
CID 103030436
4-ethoxy-N-methyl-1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103010336
5-(5-bromo-3-methylhexyl)-1-methylpyrazole
CID 103016082
3-ethyl-5-(2-methylpyrazol-3-yl)-N-propylpentan-2-amine
CID 103004378
6-methyl-1-(2-methylpyrazol-3-yl)-N-propylheptan-3-amine
CID 103009592
1-(2-methylpyrazol-3-yl)pentan-3-ol
CID 64516316
1-(2-methylpyrazol-3-yl)pentan-3-amine
CID 64505334
N-methyl-4-(2-methylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)butan-2-amine
CID 103030452
1-(3,4-difluorophenyl)-N-methyl-4-(2-methylpyrazol-3-yl)butan-2-amine
CID 103031007
5-(3-bromobutyl)-1-methylpyrazole
CID 64509819
5-(3-chlorobutyl)-1-methylpyrazole
CID 64514221

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine?
The IUPAC name of N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine (CID 103030518) is N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine.
What is the SMILES notation for N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine?
The canonical SMILES for N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine is CCC(C)CC(CCc1ccnn1C)NC.
What is the InChIKey of N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine?
The InChIKey is LMDVNESRCYOICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N3/c1-5-11(2)10-12(14-3)6-7-13-8-9-15-16(13)4/h8-9,11-12,14H,5-7,10H2,1-4H3.
What are the key properties of N,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine?
N,5-dimethyl-1-(2-methylpyrazol-3-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,5-dimethyl-1-(2-methylpyrazol-3-yl)heptan-3-amine is sourced from PubChem (CID 103030518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).