ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine

C10H22N2 — CID 144608130

IUPACethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine
SMILESCC.CCNCC1=C(C)CCN1
InChIInChI=1S/C8H16N2.C2H6/c1-3-9-6-8-7(2)4-5-10-8;1-2/h9-10H,3-6H2,1-2H3;1-2H3
InChIKeyZMLFQXAXJUNNSX-UHFFFAOYSA-N
MW170.30 g/mol
LogP1.89
Rot. Bonds3

About ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine

ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine (PubChem CID 144608130) has the molecular formula C10H22N2 and a molecular weight of 170.30 g/mol. Its IUPAC name is ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine.

Molecular Properties

Compound Nameethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine
PubChem CID144608130
Molecular FormulaC10H22N2
Molecular Weight170.30 g/mol
Exact Mass170.18
IUPAC Nameethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine
SMILESCC.CCNCC1=C(C)CCN1
InChIInChI=1S/C8H16N2.C2H6/c1-3-9-6-8-7(2)4-5-10-8;1-2/h9-10H,3-6H2,1-2H3;1-2H3
InChIKeyZMLFQXAXJUNNSX-UHFFFAOYSA-N
XLogP1.89
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Dimethylpyrroline
CID 21129173
6,7-Ditert-butyl-4-methyl-1,2,3,5-tetrahydro-1,4-diazepine
CID 23402551
5,6-Di(propan-2-yl)-1,2,3,4-tetrahydropyrazine
CID 57632399
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine
CID 58269999
4-Methyl-1,2,3,6-tetrahydropyridin-5-amine
CID 67861468
4-methyl-5-propan-2-yl-2,3-dihydro-1H-pyrrole
CID 68250927
5-Methyl-6-propan-2-yl-1,2,3,4-tetrahydropyrazine
CID 89041221
2-Methyl-3-propan-2-ylidene-1,4-diazepane
CID 90244934
4,5-dimethyl-2,3-dihydro-1H-pyrrole;ethane
CID 91427397
4-(Methylaminomethyl)-1,2,3,6-tetrahydropyridin-5-amine
CID 117805525
N,4-dimethyl-1,2,3,6-tetrahydropyridin-5-amine;ethane
CID 123241224
N,4-dimethyl-2,5-dihydro-1H-pyrrol-3-amine;ethane
CID 123374277

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine?
The IUPAC name of ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine (CID 144608130) is ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine.
What is the SMILES notation for ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine?
The canonical SMILES for ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine is CC.CCNCC1=C(C)CCN1.
What is the InChIKey of ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine?
The InChIKey is ZMLFQXAXJUNNSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2.C2H6/c1-3-9-6-8-7(2)4-5-10-8;1-2/h9-10H,3-6H2,1-2H3;1-2H3.
What are the key properties of ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine?
ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine has a molecular weight of 170.30 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(4-methyl-2,3-dihydro-1H-pyrrol-5-yl)methyl]ethanamine is sourced from PubChem (CID 144608130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).