4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine

C15H26N2 — CID 66412264

IUPAC4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1cccc1CNC1CCC(C)CC1
InChIInChI=1S/C15H26N2/c1-3-10-17-11-4-5-15(17)12-16-14-8-6-13(2)7-9-14/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3
InChIKeyHLSNMSUYKPQIJI-UHFFFAOYSA-N
MW234.39 g/mol
LogP3.57
Rot. Bonds5

About 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine

4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine (PubChem CID 66412264) has the molecular formula C15H26N2 and a molecular weight of 234.39 g/mol. Its IUPAC name is 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
PubChem CID66412264
Molecular FormulaC15H26N2
Molecular Weight234.39 g/mol
Exact Mass234.21
IUPAC Name4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine
SMILESCCCn1cccc1CNC1CCC(C)CC1
InChIInChI=1S/C15H26N2/c1-3-10-17-11-4-5-15(17)12-16-14-8-6-13(2)7-9-14/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3
InChIKeyHLSNMSUYKPQIJI-UHFFFAOYSA-N
XLogP3.57
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.39
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
N-[(1-heptylpyrrol-2-yl)methyl]cyclopropanamine
CID 66402783
4-[(1-propylpyrrol-2-yl)methylamino]cyclohexane-1-carboxamide
CID 66412930
N-[(1-propylpyrrol-2-yl)methyl]thiolan-3-amine
CID 103062608
2-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]ethanol
CID 66401036
N-[[1-[2-(diethylamino)ethyl]pyrrol-2-yl]methyl]cyclopropanamine
CID 66402201
N-[(1-propylpyrrol-2-yl)methyl]oxan-3-amine
CID 66445785
2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411363
N-methyl-2-[4-[(1-propylpyrrol-2-yl)methylamino]piperidin-1-yl]acetamide
CID 66411136
N-[[1-(2-ethylbutyl)pyrrol-2-yl]methyl]cyclopropanamine
CID 82928473
methyl 3-[2-[(cyclopropylamino)methyl]pyrrol-1-yl]propanoate
CID 66401619
N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine (CID 66412264) is 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine is CCCn1cccc1CNC1CCC(C)CC1.
What is the InChIKey of 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine?
The InChIKey is HLSNMSUYKPQIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2/c1-3-10-17-11-4-5-15(17)12-16-14-8-6-13(2)7-9-14/h4-5,11,13-14,16H,3,6-10,12H2,1-2H3.
What are the key properties of 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine?
4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine has a molecular weight of 234.39 g/mol, XLogP of 3.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1-propylpyrrol-2-yl)methyl]cyclohexan-1-amine is sourced from PubChem (CID 66412264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).