4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole

C14H24N2 — CID 59937188

IUPAC4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)CCC1=C(C)N(C)CC1
InChIInChI=1S/C14H24N2/c1-11-13(6-10-16(11)4)5-7-14(3)8-9-15-12(14)2/h5-10H2,1-4H3
InChIKeyZCKBDGDKRCEXKS-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.25
Rot. Bonds3

About 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole

4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole (PubChem CID 59937188) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole
PubChem CID59937188
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Name4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole
SMILESCC1=NCCC1(C)CCC1=C(C)N(C)CC1
InChIInChI=1S/C14H24N2/c1-11-13(6-10-16(11)4)5-7-14(3)8-9-15-12(14)2/h5-10H2,1-4H3
InChIKeyZCKBDGDKRCEXKS-UHFFFAOYSA-N
XLogP3.25
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3,3-Tetramethyl-4,5,6,7-tetrahydroindol-1-ium
CID 21043312
N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 59189196
N,N,2,3-tetramethyl-4-[1-[2-methyl-3-[3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 59189335
5-propan-2-yl-2,3,6,7,8,8a-hexahydro-1H-cyclopenta[a]pyrrolizin-4-ium
CID 155622549
N,N,2,3-tetramethyl-4-[(1E)-1-[2-methyl-3-[(Z)-3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclopent-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 159610315
N,N,2,3-tetramethyl-4-[(1E)-1-[2-methyl-3-[(Z)-3-(1,4,4-trimethyl-2,3-dihydropyrrol-1-ium-5-yl)but-2-en-2-yl]cyclohex-2-en-1-ylidene]ethyl]cyclopenta-1,3-dien-1-amine
CID 161577571
N-[3-(2,5-dimethyl-3H-pyrrol-4-yl)butyl]-2,2-dimethyl-N-propylpropan-1-amine
CID 170408418
3-(2,5-dimethyl-3H-pyrrol-4-yl)-N,N-dipropylbutan-1-amine
CID 170409744
3-(2,3,3-Trimethyl-4,5,6,7-tetrahydroindol-1-ium-1-yl)propanenitrile
CID 24869867
3,3-Diethyl-1,2-dimethyl-4,5,6,7-tetrahydroindol-1-ium
CID 24870289
2,6-Ditert-butyl-3,4,5,7-tetrahydropyrrolo[2,3-c]pyridine
CID 163449018

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole?
The IUPAC name of 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole (CID 59937188) is 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole.
What is the SMILES notation for 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole?
The canonical SMILES for 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole is CC1=NCCC1(C)CCC1=C(C)N(C)CC1.
What is the InChIKey of 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole?
The InChIKey is ZCKBDGDKRCEXKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-11-13(6-10-16(11)4)5-7-14(3)8-9-15-12(14)2/h5-10H2,1-4H3.
What are the key properties of 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole?
4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole has a molecular weight of 220.36 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,5-dimethyl-2,3-dihydropyrrol-4-yl)ethyl]-4,5-dimethyl-2,3-dihydropyrrole is sourced from PubChem (CID 59937188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).