(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine

C11H20N2 — CID 96670380

IUPAC(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine
SMILESCc1cc([C@H](C)N)c(C)n1C(C)C
InChIInChI=1S/C11H20N2/c1-7(2)13-8(3)6-11(9(4)12)10(13)5/h6-7,9H,12H2,1-5H3/t9-/m0/s1
InChIKeyRTMVCLMTZJJRSN-VIFPVBQESA-N
MW180.29 g/mol
LogP2.71
Rot. Bonds2

About (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine

(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine (PubChem CID 96670380) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine
PubChem CID96670380
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine
SMILESCc1cc([C@H](C)N)c(C)n1C(C)C
InChIInChI=1S/C11H20N2/c1-7(2)13-8(3)6-11(9(4)12)10(13)5/h6-7,9H,12H2,1-5H3/t9-/m0/s1
InChIKeyRTMVCLMTZJJRSN-VIFPVBQESA-N
XLogP2.71
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)propan-1-amine
CID 82491282
(1R)-1-(1,2,5-trimethylpyrrol-3-yl)ethanamine
CID 55275919
2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-N,N-dimethylbutane-1,4-diamine
CID 112516291
3-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-4-methylpentanoic acid
CID 82499365
3-bromo-6-methyl-1,4-di(propan-2-yl)pyridin-2-one
CID 165398487
1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-2,2,2-trifluoroethanone
CID 82495978
4,5-dimethyl-1,3-di(propan-2-yl)imidazole-2-thione
CID 11052977
3-[amino(phenyl)methyl]-4,6-dimethyl-1-propan-2-ylpyridin-2-one
CID 82526128
4-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)piperidine
CID 82494191
N-(2-aminoethyl)-2-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)acetamide
CID 96674385
2-(azepan-1-yl)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanone
CID 110654057
N-(3-amino-2-methylpropyl)-2,5-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
CID 119997726

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine?
The IUPAC name of (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine (CID 96670380) is (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine.
What is the SMILES notation for (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine?
The canonical SMILES for (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine is Cc1cc([C@H](C)N)c(C)n1C(C)C.
What is the InChIKey of (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine?
The InChIKey is RTMVCLMTZJJRSN-VIFPVBQESA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)13-8(3)6-11(9(4)12)10(13)5/h6-7,9H,12H2,1-5H3/t9-/m0/s1.
What are the key properties of (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine?
(1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine has a molecular weight of 180.29 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)ethanamine is sourced from PubChem (CID 96670380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).