2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

C14H21N5 — CID 61166998

IUPAC2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCC(NCC(C)(C)C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H21N5/c1-11(15-9-14(2,3)4)12-6-5-7-13(8-12)19-10-16-17-18-19/h5-8,10-11,15H,9H2,1-4H3
InChIKeyBECFEMHVFHCRQL-UHFFFAOYSA-N
MW259.36 g/mol
LogP2.36
Rot. Bonds4

About 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine

2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (PubChem CID 61166998) has the molecular formula C14H21N5 and a molecular weight of 259.36 g/mol. Its IUPAC name is 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
PubChem CID61166998
Molecular FormulaC14H21N5
Molecular Weight259.36 g/mol
Exact Mass259.18
IUPAC Name2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
SMILESCC(NCC(C)(C)C)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C14H21N5/c1-11(15-9-14(2,3)4)12-6-5-7-13(8-12)19-10-16-17-18-19/h5-8,10-11,15H,9H2,1-4H3
InChIKeyBECFEMHVFHCRQL-UHFFFAOYSA-N
XLogP2.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.36
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]pent-3-yn-1-amine
CID 116642927
N-(2-methylsulfinylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 115720609
3-methoxy-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 43205101
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103903267
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
2-hydroxy-3-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]propanamide
CID 106171764
N-(pyridin-2-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 43195693
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 61281098
1-[3-(tetrazol-1-yl)phenyl]-N-[2-(1,3-thiazol-4-yl)ethyl]ethanamine
CID 63830975

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine (CID 61166998) is 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is CC(NCC(C)(C)C)c1cccc(-n2cnnn2)c1.
What is the InChIKey of 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
The InChIKey is BECFEMHVFHCRQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5/c1-11(15-9-14(2,3)4)12-6-5-7-13(8-12)19-10-16-17-18-19/h5-8,10-11,15H,9H2,1-4H3.
What are the key properties of 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine?
2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine has a molecular weight of 259.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine is sourced from PubChem (CID 61166998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).