N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine

C17H27N3 — CID 105001147

IUPACN-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
SMILESCCCCCC(Cc1nn(C)c2ccccc12)NCC
InChIInChI=1S/C17H27N3/c1-4-6-7-10-14(18-5-2)13-16-15-11-8-9-12-17(15)20(3)19-16/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3
InChIKeyXEMFYFYCQKJGNN-UHFFFAOYSA-N
MW273.42 g/mol
LogP3.67
Rot. Bonds8

About N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine

N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine (PubChem CID 105001147) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
PubChem CID105001147
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC NameN-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine
SMILESCCCCCC(Cc1nn(C)c2ccccc12)NCC
InChIInChI=1S/C17H27N3/c1-4-6-7-10-14(18-5-2)13-16-15-11-8-9-12-17(15)20(3)19-16/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3
InChIKeyXEMFYFYCQKJGNN-UHFFFAOYSA-N
XLogP3.67
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 53.67
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

1-(1,3-dioxolan-2-yl)-N-ethyl-3-(1-methylindazol-3-yl)propan-2-amine
CID 103546905
N-ethyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126554
N-ethyl-3-methoxy-1-(1-methylindazol-3-yl)hexan-2-amine
CID 116719285
1-N,1-N-dimethyl-3-(1-methylindazol-3-yl)-2-N-propylpropane-1,2-diamine
CID 79092451
N,4-dimethyl-1-(1-methylindazol-3-yl)hexan-2-amine
CID 105001190
[3-ethyl-1-(1-methylindazol-3-yl)heptan-2-yl]hydrazine
CID 105318169
4-methyl-1-(1-methylindazol-3-yl)-N-propylhexan-2-amine
CID 105001229
N-[(1-methylindazol-3-yl)methyl]hexan-1-amine
CID 62997880
N-methyl-1-(1-methylindazol-3-yl)octan-1-amine
CID 103126552
[5,5,5-trifluoro-1-(1-methylindazol-3-yl)pentan-2-yl]hydrazine
CID 105248982
1-(1-methylindazol-3-yl)heptan-1-ol
CID 103128650
N-ethyl-1-(1-methylindazol-3-yl)butan-1-amine
CID 103125829

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine?
The IUPAC name of N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine (CID 105001147) is N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine.
What is the SMILES notation for N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine?
The canonical SMILES for N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine is CCCCCC(Cc1nn(C)c2ccccc12)NCC.
What is the InChIKey of N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine?
The InChIKey is XEMFYFYCQKJGNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-4-6-7-10-14(18-5-2)13-16-15-11-8-9-12-17(15)20(3)19-16/h8-9,11-12,14,18H,4-7,10,13H2,1-3H3.
What are the key properties of N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine?
N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine has a molecular weight of 273.42 g/mol, XLogP of 3.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(1-methylindazol-3-yl)heptan-2-amine is sourced from PubChem (CID 105001147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).