N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine

C14H27N3 — CID 103015930

IUPACN,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCNC(CCCCc1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-14(2,3)13(15-4)9-7-6-8-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyGHYOYBMYRDASHV-UHFFFAOYSA-N
MW237.39 g/mol
LogP2.77
Rot. Bonds6

About N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine

N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine (PubChem CID 103015930) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine.

Molecular Properties

Compound NameN,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
PubChem CID103015930
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC NameN,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine
SMILESCNC(CCCCc1cnn(C)c1)C(C)(C)C
InChIInChI=1S/C14H27N3/c1-14(2,3)13(15-4)9-7-6-8-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3
InChIKeyGHYOYBMYRDASHV-UHFFFAOYSA-N
XLogP2.77
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(5-bromo-6-methylheptyl)-1-methylpyrazole
CID 103016068
4,4-dimethyl-3-[2-(1-methylpyrazol-4-yl)ethylamino]pentan-1-ol
CID 104628271
N-methyl-4-(1-methylpyrazol-4-yl)butan-2-amine
CID 62125869
N,6-dimethyl-1-(1-methylpyrazol-4-yl)heptan-3-amine
CID 103009586
2,2-dimethyl-N-[4-(1-methylpyrazol-4-yl)butyl]propan-1-amine;hydrochloride
CID 115610520
2-N,3-N,3-N,3-tetramethyl-1-(1-methylpyrazol-4-yl)butane-2,3-diamine
CID 79053603
4-(4-chloropentyl)-1-methylpyrazole
CID 64514682
2-methyl-5-(1-methylpyrazol-4-yl)pentan-2-ol
CID 164967779
N-methyl-1,3-bis(1-methylpyrazol-4-yl)propan-1-amine
CID 103010532
1-cyclopropyl-N-methyl-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 63354994
3-(1-methylpyrazol-4-yl)propan-1-amine
CID 47003365
6-(1-methylpyrazol-4-yl)hexan-3-amine
CID 64506048

Frequently Asked Questions

What is the IUPAC name of N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine?
The IUPAC name of N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine (CID 103015930) is N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine.
What is the SMILES notation for N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine?
The canonical SMILES for N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine is CNC(CCCCc1cnn(C)c1)C(C)(C)C.
What is the InChIKey of N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine?
The InChIKey is GHYOYBMYRDASHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-14(2,3)13(15-4)9-7-6-8-12-10-16-17(5)11-12/h10-11,13,15H,6-9H2,1-5H3.
What are the key properties of N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine?
N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine has a molecular weight of 237.39 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2,2-trimethyl-7-(1-methylpyrazol-4-yl)heptan-3-amine is sourced from PubChem (CID 103015930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).