N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

C15H27N3 — CID 43727357

IUPACN-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCC(CCC)NC1CCCc2c1cnn2C
InChIInChI=1S/C15H27N3/c1-4-7-12(8-5-2)17-14-9-6-10-15-13(14)11-16-18(15)3/h11-12,14,17H,4-10H2,1-3H3
InChIKeySEOIEHXSNVJDAW-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.36
Rot. Bonds6

About N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine

N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (PubChem CID 43727357) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.

Molecular Properties

Compound NameN-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
PubChem CID43727357
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC NameN-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
SMILESCCCC(CCC)NC1CCCc2c1cnn2C
InChIInChI=1S/C15H27N3/c1-4-7-12(8-5-2)17-14-9-6-10-15-13(14)11-16-18(15)3/h11-12,14,17H,4-10H2,1-3H3
InChIKeySEOIEHXSNVJDAW-UHFFFAOYSA-N
XLogP3.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]butan-1-ol
CID 104980497
4-methyl-2-[(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)amino]pentan-1-ol
CID 61245676
1-methyl-N-propyl-4,5,6,7-tetrahydroindazol-4-amine
CID 43254492
N-[(4S)-1-methyl-4,5,6,7-tetrahydroindazol-4-yl]ethanesulfonamide
CID 94197139
1-methyl-N-(1-piperidin-1-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43749196
2-[4-(pentan-2-ylamino)-4,5,6,7-tetrahydroindazol-1-yl]ethanol
CID 43752538
1-methyl-N-(4-propylcyclohexyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 43435437
N-[1-(5-fluoro-2-pyridinyl)propyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 115938578
1-methyl-N-(1-pyrrolidin-2-ylpropan-2-yl)-4,5,6,7-tetrahydroindazol-4-amine
CID 79541855
1-methyl-N-(1,3-thiazol-5-ylmethyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 55110101
N-[1-(5-fluoro-3-pyridinyl)ethyl]-1-methyl-4,5,6,7-tetrahydroindazol-4-amine
CID 103777387
3-amino-2-methyl-N-(1-methyl-4,5,6,7-tetrahydroindazol-4-yl)propanamide
CID 62669622

Frequently Asked Questions

What is the IUPAC name of N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The IUPAC name of N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine (CID 43727357) is N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine.
What is the SMILES notation for N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The canonical SMILES for N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is CCCC(CCC)NC1CCCc2c1cnn2C.
What is the InChIKey of N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
The InChIKey is SEOIEHXSNVJDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3/c1-4-7-12(8-5-2)17-14-9-6-10-15-13(14)11-16-18(15)3/h11-12,14,17H,4-10H2,1-3H3.
What are the key properties of N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine?
N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine has a molecular weight of 249.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptan-4-yl-1-methyl-4,5,6,7-tetrahydroindazol-4-amine is sourced from PubChem (CID 43727357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).