N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine

C16H23N5 — CID 103903267

IUPACN-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCC(NCC1(C(C)C)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H23N5/c1-12(2)16(7-8-16)10-17-13(3)14-5-4-6-15(9-14)21-11-18-19-20-21/h4-6,9,11-13,17H,7-8,10H2,1-3H3
InChIKeyQFPRFVNJEIJZNZ-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.75
Rot. Bonds6

About N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine

N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine (PubChem CID 103903267) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
PubChem CID103903267
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
SMILESCC(NCC1(C(C)C)CC1)c1cccc(-n2cnnn2)c1
InChIInChI=1S/C16H23N5/c1-12(2)16(7-8-16)10-17-13(3)14-5-4-6-15(9-14)21-11-18-19-20-21/h4-6,9,11-13,17H,7-8,10H2,1-3H3
InChIKeyQFPRFVNJEIJZNZ-UHFFFAOYSA-N
XLogP2.75
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,2-dimethyl-N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]propan-1-amine
CID 61166998
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
4-[1-[3-(tetrazol-1-yl)phenyl]ethylamino]butanamide
CID 60865372
N-[1-[3-(tetrazol-1-yl)phenyl]ethyl]-1-(trifluoromethyl)cyclopropan-1-amine
CID 106210752
N-(2-prop-2-ynylsulfanylethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103902546
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
1-[3-(tetrazol-1-yl)phenyl]-N-(thiophen-2-ylmethyl)ethanamine
CID 43204738
N-[(5-methyl-1,3-thiazol-2-yl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 103786245
N-(1,2-oxazol-5-ylmethyl)-1-[3-(tetrazol-1-yl)phenyl]ethanamine
CID 106415586

Frequently Asked Questions

What is the IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The IUPAC name of N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine (CID 103903267) is N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine.
What is the SMILES notation for N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The canonical SMILES for N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine is CC(NCC1(C(C)C)CC1)c1cccc(-n2cnnn2)c1.
What is the InChIKey of N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
The InChIKey is QFPRFVNJEIJZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-12(2)16(7-8-16)10-17-13(3)14-5-4-6-15(9-14)21-11-18-19-20-21/h4-6,9,11-13,17H,7-8,10H2,1-3H3.
What are the key properties of N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine?
N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine has a molecular weight of 285.39 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-propan-2-ylcyclopropyl)methyl]-1-[3-(tetrazol-1-yl)phenyl]ethanamine is sourced from PubChem (CID 103903267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).