1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole

C18H32N2 — CID 90979611

IUPAC1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C1=CCCN1C(C)CCC(C)C1=NCCC1C
InChIInChI=1S/C18H32N2/c1-13(2)17-7-6-12-20(17)16(5)9-8-14(3)18-15(4)10-11-19-18/h7,13-16H,6,8-12H2,1-5H3
InChIKeySOJPFMVVQZRSNA-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.52
Rot. Bonds6

About 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole

1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole (PubChem CID 90979611) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole.

Molecular Properties

Compound Name1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole
PubChem CID90979611
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole
SMILESCC(C)C1=CCCN1C(C)CCC(C)C1=NCCC1C
InChIInChI=1S/C18H32N2/c1-13(2)17-7-6-12-20(17)16(5)9-8-14(3)18-15(4)10-11-19-18/h7,13-16H,6,8-12H2,1-5H3
InChIKeySOJPFMVVQZRSNA-UHFFFAOYSA-N
XLogP4.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2,3-trimethyl-5-[5-(1,2,3-trimethyl-3,4-dihydro-2H-pyrrol-1-ium-5-yl)pent-4-enylidene]pyrrolidine
CID 53730434
3-Butyl-2,2,5,7,7-pentamethyl-1-propyl-1,4-diazepine
CID 70615976
1-[5-(4-ethyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole
CID 90816833
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CID 91131011
N,3,8-trimethyl-N-[7-(2-methyl-3-methylideneheptyl)iminooct-2-en-2-yl]non-7-en-1-amine
CID 123241621
(4S)-N-[1-(4H-azepin-7-yl)ethyl]-N,8-dimethylnonan-4-amine;ethane
CID 144654834
N-hex-1-en-2-yl-N,2,5-trimethyl-6-[(3Z)-2-methylpenta-1,3-dien-3-yl]iminoheptan-3-amine
CID 144184589
(4S)-N-[1-(4H-azepin-7-yl)ethyl]-N,8-dimethylnonan-4-amine
CID 144654835

Frequently Asked Questions

What is the IUPAC name of 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole?
The IUPAC name of 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole (CID 90979611) is 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole.
What is the SMILES notation for 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole?
The canonical SMILES for 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole is CC(C)C1=CCCN1C(C)CCC(C)C1=NCCC1C.
What is the InChIKey of 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole?
The InChIKey is SOJPFMVVQZRSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-13(2)17-7-6-12-20(17)16(5)9-8-14(3)18-15(4)10-11-19-18/h7,13-16H,6,8-12H2,1-5H3.
What are the key properties of 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole?
1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole has a molecular weight of 276.47 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(4-methyl-3,4-dihydro-2H-pyrrol-5-yl)hexan-2-yl]-5-propan-2-yl-2,3-dihydropyrrole is sourced from PubChem (CID 90979611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).