1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine

C17H30N2 — CID 66414583

IUPAC1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCC(CC)CC2)c1
InChIInChI=1S/C17H30N2/c1-3-10-19-11-9-17(14-19)13-18-12-16-7-5-15(4-2)6-8-16/h9,11,14-16,18H,3-8,10,12-13H2,1-2H3
InChIKeyCWBJLPOKEJNAGI-UHFFFAOYSA-N
MW262.44 g/mol
LogP4.20
Rot. Bonds7

About 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine

1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (PubChem CID 66414583) has the molecular formula C17H30N2 and a molecular weight of 262.44 g/mol. Its IUPAC name is 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
PubChem CID66414583
Molecular FormulaC17H30N2
Molecular Weight262.44 g/mol
Exact Mass262.24
IUPAC Name1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
SMILESCCCn1ccc(CNCC2CCC(CC)CC2)c1
InChIInChI=1S/C17H30N2/c1-3-10-19-11-9-17(14-19)13-18-12-16-7-5-15(4-2)6-8-16/h9,11,14-16,18H,3-8,10,12-13H2,1-2H3
InChIKeyCWBJLPOKEJNAGI-UHFFFAOYSA-N
XLogP4.20
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.44
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclohexyl-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66397562
1-(oxan-4-yl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66415974
4-ethyl-N-[(1-propylpyrrol-3-yl)methyl]cyclohexan-1-amine
CID 66416546
N-[(1-ethylpyrrol-3-yl)methyl]-1-(4-methylcyclohexyl)methanamine
CID 66414021
2-cyclopentyloxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66416757
1-[(1-propylpyrrol-3-yl)methylamino]propan-2-ol
CID 66398623
3-[[(1-ethylpyrrol-3-yl)methylamino]methyl]cyclobutan-1-ol
CID 66414820
1-(4-ethylcyclohexyl)-N-[(4-ethylphenyl)methyl]methanamine
CID 63451562
2-ethoxy-N-[(1-propylpyrrol-3-yl)methyl]ethanamine
CID 66399050
ethyl 2-[(1-propylpyrrol-3-yl)methylamino]acetate
CID 66414373
1-(4-bromophenyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine
CID 66399030
2-methyl-N-[(1-propylpyrrol-3-yl)methyl]butan-1-amine
CID 66416750

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine (CID 66414583) is 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is CCCn1ccc(CNCC2CCC(CC)CC2)c1.
What is the InChIKey of 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
The InChIKey is CWBJLPOKEJNAGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30N2/c1-3-10-19-11-9-17(14-19)13-18-12-16-7-5-15(4-2)6-8-16/h9,11,14-16,18H,3-8,10,12-13H2,1-2H3.
What are the key properties of 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine?
1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine has a molecular weight of 262.44 g/mol, XLogP of 4.20, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethylcyclohexyl)-N-[(1-propylpyrrol-3-yl)methyl]methanamine is sourced from PubChem (CID 66414583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).