N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine

C9H15N5 — CID 107042699

IUPACN-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nnn(C)n1
InChIInChI=1S/C9H15N5/c1-4-6-8(5-2)10-7-9-11-13-14(3)12-9/h1,8,10H,5-7H2,2-3H3
InChIKeyZVMUDVLFVSAUOU-UHFFFAOYSA-N
MW193.25 g/mol
LogP0.10
Rot. Bonds5

About N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine

N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine (PubChem CID 107042699) has the molecular formula C9H15N5 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine.

Molecular Properties

Compound NameN-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine
PubChem CID107042699
Molecular FormulaC9H15N5
Molecular Weight193.25 g/mol
Exact Mass193.13
IUPAC NameN-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine
SMILESC#CCC(CC)NCc1nnn(C)n1
InChIInChI=1S/C9H15N5/c1-4-6-8(5-2)10-7-9-11-13-14(3)12-9/h1,8,10H,5-7H2,2-3H3
InChIKeyZVMUDVLFVSAUOU-UHFFFAOYSA-N
XLogP0.10
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-methyltetrazol-5-yl)methyl]pent-4-yn-2-amine
CID 107042700
N-[(2-methyltetrazol-5-yl)methyl]octan-4-amine
CID 107167915
N-[(3-methyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 115682761
4-methyl-2-[(2-methyltetrazol-5-yl)methylamino]pentan-1-ol
CID 107042235
N-[(1-tert-butyltriazol-4-yl)methyl]hex-5-yn-3-amine
CID 103399399
N-methyl-6-(2-methyltetrazol-5-yl)hexan-3-amine
CID 107054892
N-ethylhex-5-yn-3-amine
CID 62233887
2-ethyl-N-[(2-methyltetrazol-5-yl)methyl]butan-1-amine
CID 107042740
N-[(1-methylpyrrol-2-yl)methyl]hex-5-yn-3-amine
CID 115654846
N-(1,3-thiazol-2-ylmethyl)hex-5-yn-3-amine
CID 115654848
4-chloro-3-methyl-N-[(2-methyltetrazol-5-yl)methyl]butan-2-amine
CID 107054190
N,3-diethyl-1-(2-methyltetrazol-5-yl)pentan-2-amine
CID 107064998

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine?
The IUPAC name of N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine (CID 107042699) is N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine.
What is the SMILES notation for N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine?
The canonical SMILES for N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine is C#CCC(CC)NCc1nnn(C)n1.
What is the InChIKey of N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine?
The InChIKey is ZVMUDVLFVSAUOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5/c1-4-6-8(5-2)10-7-9-11-13-14(3)12-9/h1,8,10H,5-7H2,2-3H3.
What are the key properties of N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine?
N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine has a molecular weight of 193.25 g/mol, XLogP of 0.10, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyltetrazol-5-yl)methyl]hex-5-yn-3-amine is sourced from PubChem (CID 107042699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).