N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine

C6H13N5 — CID 167021959

IUPACN-methyl-3-(2H-tetrazol-5-yl)butan-1-amine
SMILESCNCCC(C)c1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-5(3-4-7-2)6-8-10-11-9-6/h5,7H,3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyAPCNJTJWRCSSEP-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.09
Rot. Bonds4

About N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine

N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine (PubChem CID 167021959) has the molecular formula C6H13N5 and a molecular weight of 155.20 g/mol. Its IUPAC name is N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine.

Molecular Properties

Compound NameN-methyl-3-(2H-tetrazol-5-yl)butan-1-amine
PubChem CID167021959
Molecular FormulaC6H13N5
Molecular Weight155.20 g/mol
Exact Mass155.12
IUPAC NameN-methyl-3-(2H-tetrazol-5-yl)butan-1-amine
SMILESCNCCC(C)c1nn[nH]n1
InChIInChI=1S/C6H13N5/c1-5(3-4-7-2)6-8-10-11-9-6/h5,7H,3-4H2,1-2H3,(H,8,9,10,11)
InChIKeyAPCNJTJWRCSSEP-UHFFFAOYSA-N
XLogP-0.09
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(1H-Tetrazol-5-yl)piperidine
CID 22498328
3-methyl-2-(2H-tetrazol-5-yl)butan-1-amine
CID 10241030
4-methyl-2-(1H-tetrazol-5-yl)-pentylamine
CID 10241215
2-methyl-1-(2H-1,2,3,4-tetrazol-5-yl)propan-1-amine
CID 4639256
5-(azetidin-3-yl)-1H-1,2,3,4-tetrazole hydrochloride
CID 67092019
5-(pyrrolidin-3-yl)-2H-1,2,3,4-tetrazole hydrochloride
CID 91663866
N-(2H-tetrazol-5-ylmethyl)butan-1-amine;hydrochloride
CID 57399853
methyl(2-(2H-1,2,3,4-tetrazol-5-yl)ethyl)amine dihydrochloride
CID 54594509
methyl[2-(1H-1,2,3,4-tetrazol-5-yl)ethyl]amine
CID 18404463
5-(Pyrrolidin-3-yl)-2H-tetrazole
CID 22181536
5-(azetidin-3-yl)-2H-tetrazole
CID 58415389
4-[(2H-1,2,3,4-tetrazol-5-yl)methyl]piperidine
CID 59261062

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The IUPAC name of N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine (CID 167021959) is N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine.
What is the SMILES notation for N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The canonical SMILES for N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine is CNCCC(C)c1nn[nH]n1.
What is the InChIKey of N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine?
The InChIKey is APCNJTJWRCSSEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N5/c1-5(3-4-7-2)6-8-10-11-9-6/h5,7H,3-4H2,1-2H3,(H,8,9,10,11).
What are the key properties of N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine?
N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine has a molecular weight of 155.20 g/mol, XLogP of -0.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2H-tetrazol-5-yl)butan-1-amine is sourced from PubChem (CID 167021959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).