2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine

C12H23N5O — CID 62737630

IUPAC2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C1CCCO1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C12H23N5O/c1-9(10-6-5-7-18-10)17-11(14-15-16-17)8-13-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyOJVRKHWKVBWLQN-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.30
Rot. Bonds4

About 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine

2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine (PubChem CID 62737630) has the molecular formula C12H23N5O and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
PubChem CID62737630
Molecular FormulaC12H23N5O
Molecular Weight253.35 g/mol
Exact Mass253.19
IUPAC Name2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine
SMILESCC(C1CCCO1)n1nnnc1CNC(C)(C)C
InChIInChI=1S/C12H23N5O/c1-9(10-6-5-7-18-10)17-11(14-15-16-17)8-13-12(2,3)4/h9-10,13H,5-8H2,1-4H3
InChIKeyOJVRKHWKVBWLQN-UHFFFAOYSA-N
XLogP1.30
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-1-amine
CID 55109201
2-methyl-N-[[1-(6-methylheptan-2-yl)tetrazol-5-yl]methyl]propan-2-amine
CID 62761534
N-[(1-propan-2-yltetrazol-5-yl)methyl]oxolane-2-carboxamide
CID 71688455
4-chloro-2-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61378568
N-[[1-[1-(4-bromophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762591
3-[1-(oxolan-2-yl)ethyl]benzotriazole-5-carboxylic acid
CID 82784062
N-[[1-[1-(2-chlorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62763846
3-methoxy-5-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 81095284
N-[[1-[1-(3-fluorophenyl)ethyl]tetrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62762587
4-methoxy-3-[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]aniline
CID 61376228
(1R)-N-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)methyl]-1-[(2S)-oxolan-2-yl]ethanamine
CID 99777491
2-methyl-N-[[1-(thiolan-2-ylmethyl)tetrazol-5-yl]methyl]propan-2-amine
CID 80586030

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine (CID 62737630) is 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine is CC(C1CCCO1)n1nnnc1CNC(C)(C)C.
What is the InChIKey of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
The InChIKey is OJVRKHWKVBWLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O/c1-9(10-6-5-7-18-10)17-11(14-15-16-17)8-13-12(2,3)4/h9-10,13H,5-8H2,1-4H3.
What are the key properties of 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine?
2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine has a molecular weight of 253.35 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[1-[1-(oxolan-2-yl)ethyl]tetrazol-5-yl]methyl]propan-2-amine is sourced from PubChem (CID 62737630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).