2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

C9H19N5 — CID 107042740

IUPAC2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1nnn(C)n1
InChIInChI=1S/C9H19N5/c1-4-8(5-2)6-10-7-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3
InChIKeyHHTWEWNRQUWREK-UHFFFAOYSA-N
MW197.29 g/mol
LogP0.74
Rot. Bonds6

About 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine

2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (PubChem CID 107042740) has the molecular formula C9H19N5 and a molecular weight of 197.29 g/mol. Its IUPAC name is 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.

Molecular Properties

Compound Name2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
PubChem CID107042740
Molecular FormulaC9H19N5
Molecular Weight197.29 g/mol
Exact Mass197.16
IUPAC Name2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
SMILESCCC(CC)CNCc1nnn(C)n1
InChIInChI=1S/C9H19N5/c1-4-8(5-2)6-10-7-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3
InChIKeyHHTWEWNRQUWREK-UHFFFAOYSA-N
XLogP0.74
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.29
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methyltetrazol-5-yl)methyl]-N-propylbutan-1-amine
CID 107052925
2,3,3-trimethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042638
2-chloro-N-[(2-methyltetrazol-5-yl)methyl]-2-phenylethanamine
CID 107054007
3-methyl-N-[(2-methyltetrazol-5-yl)methyl]but-2-en-1-amine
CID 107166974
N-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-2-ethylbutan-1-amine
CID 115756634
2-bromo-N-[(2-methyltetrazol-5-yl)methyl]prop-2-en-1-amine
CID 107042685
N-ethyl-3,3-dimethyl-2-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107053527
1-(2-methyltetrazol-5-yl)-3-(propylamino)propan-2-ol
CID 107057608
ethyl 2-[(2-methyltetrazol-5-yl)methylamino]acetate
CID 107042177
N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine
CID 107042699
2-[(4-bromophenyl)methyl]-N-ethyl-3-(2-methyltetrazol-5-yl)propan-1-amine
CID 107052967
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The IUPAC name of 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine (CID 107042740) is 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine.
What is the SMILES notation for 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The canonical SMILES for 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is CCC(CC)CNCc1nnn(C)n1.
What is the InChIKey of 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
The InChIKey is HHTWEWNRQUWREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N5/c1-4-8(5-2)6-10-7-9-11-13-14(3)12-9/h8,10H,4-7H2,1-3H3.
What are the key properties of 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine?
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine has a molecular weight of 197.29 g/mol, XLogP of 0.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine is sourced from PubChem (CID 107042740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).