N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine

C14H26N2 — CID 79604822

IUPACN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(C)n(CC)c1C
InChIInChI=1S/C14H26N2/c1-6-8-11(3)15-10-14-9-12(4)16(7-2)13(14)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyNAIHGMPABQHRDV-UHFFFAOYSA-N
MW222.38 g/mol
LogP3.40
Rot. Bonds6

About N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine (PubChem CID 79604822) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine.

Molecular Properties

Compound NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine
PubChem CID79604822
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC NameN-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine
SMILESCCCC(C)NCc1cc(C)n(CC)c1C
InChIInChI=1S/C14H26N2/c1-6-8-11(3)15-10-14-9-12(4)16(7-2)13(14)5/h9,11,15H,6-8,10H2,1-5H3
InChIKeyNAIHGMPABQHRDV-UHFFFAOYSA-N
XLogP3.40
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methylpentan-3-amine
CID 79605085
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1,1-dimethoxypropan-2-amine
CID 79605416
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-1-imidazol-1-ylpropan-2-amine
CID 78962048
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-4-propan-2-ylaniline
CID 79605539
1-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-N,2-N,3-trimethylbutane-1,2-diamine
CID 79604993
1-N,1-N-diethyl-4-N-[(1,2,5-trimethylpyrrol-3-yl)methyl]pentane-1,4-diamine
CID 62472923
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2-methylpropanamide
CID 79605008
3-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 106185534
2-[[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]methyl]phenol
CID 114331585
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]-2-methyl-3-pyrrolidin-1-ylpropan-1-amine
CID 79604935
N',N'-diethyl-N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]ethane-1,2-diamine
CID 79605149
2-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methylamino]acetamide
CID 79605383

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine?
The IUPAC name of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine (CID 79604822) is N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine.
What is the SMILES notation for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine?
The canonical SMILES for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine is CCCC(C)NCc1cc(C)n(CC)c1C.
What is the InChIKey of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine?
The InChIKey is NAIHGMPABQHRDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-6-8-11(3)15-10-14-9-12(4)16(7-2)13(14)5/h9,11,15H,6-8,10H2,1-5H3.
What are the key properties of N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine?
N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine has a molecular weight of 222.38 g/mol, XLogP of 3.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-2,5-dimethylpyrrol-3-yl)methyl]pentan-2-amine is sourced from PubChem (CID 79604822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).