1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine

C19H29N5O — CID 73223439

IUPAC1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OC(C)c1nn[nH]n1
InChIInChI=1S/C19H29N5O/c1-14(12-16-8-4-3-5-9-16)20-13-17-10-6-7-11-18(17)25-15(2)19-21-23-24-22-19/h6-7,10-11,14-16,20H,3-5,8-9,12-13H2,1-2H3,(H,21,22,23,24)
InChIKeyJHJKFONHUWZZDX-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.79
Rot. Bonds8

About 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine

1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine (PubChem CID 73223439) has the molecular formula C19H29N5O and a molecular weight of 343.47 g/mol. Its IUPAC name is 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine
PubChem CID73223439
Molecular FormulaC19H29N5O
Molecular Weight343.47 g/mol
Exact Mass343.24
IUPAC Name1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine
SMILESCC(CC1CCCCC1)NCc1ccccc1OC(C)c1nn[nH]n1
InChIInChI=1S/C19H29N5O/c1-14(12-16-8-4-3-5-9-16)20-13-17-10-6-7-11-18(17)25-15(2)19-21-23-24-22-19/h6-7,10-11,14-16,20H,3-5,8-9,12-13H2,1-2H3,(H,21,22,23,24)
InChIKeyJHJKFONHUWZZDX-UHFFFAOYSA-N
XLogP3.79
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 146001154
1-cyclopropyl-N-[(2-methoxyphenyl)methyl]propan-2-amine
CID 63990355
2-[(1-cyclohexylpropan-2-ylamino)methyl]-N,N-dimethylaniline
CID 69154711
N-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]formamide
CID 89312516
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CID 71379591
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CID 63988689
1-[2-[[[(2S)-1-cyclohexylpropan-2-yl]amino]methyl]phenyl]-1-propan-2-ylthiourea
CID 89312440
1-[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]-1-propan-2-ylurea
CID 154205114
[2-[(1-cyclopentylpropan-2-ylamino)methyl]phenyl] N-(4-acetylphenyl)carbamate
CID 91178234
1-cyclohexyl-N-[[2-(4-methylphenyl)sulfanylphenyl]methyl]propan-2-amine
CID 69154432
methyl (2R)-2-[[2-[(1-cyclohexylpropan-2-ylamino)methyl]phenyl]methylsulfonylamino]propanoate
CID 151105326
(2S)-1-cycloheptyl-N-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)phenyl]methyl]propan-2-amine
CID 141159046

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine (CID 73223439) is 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine is CC(CC1CCCCC1)NCc1ccccc1OC(C)c1nn[nH]n1.
What is the InChIKey of 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine?
The InChIKey is JHJKFONHUWZZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c1-14(12-16-8-4-3-5-9-16)20-13-17-10-6-7-11-18(17)25-15(2)19-21-23-24-22-19/h6-7,10-11,14-16,20H,3-5,8-9,12-13H2,1-2H3,(H,21,22,23,24).
What are the key properties of 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine?
1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine has a molecular weight of 343.47 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-[[2-[1-(2H-tetrazol-5-yl)ethoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 73223439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).