1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine

C30H28N2 — CID 58426575

IUPAC1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
SMILESc1cc2c(ccc3c2ccc2c4ccc(N5CCCC5)cc4ccc23)cc1N1CCCC1
InChIInChI=1S/C30H28N2/c1-2-16-31(15-1)23-7-11-25-21(19-23)5-9-29-27(25)13-14-28-26-12-8-24(32-17-3-4-18-32)20-22(26)6-10-30(28)29/h5-14,19-20H,1-4,15-18H2
InChIKeyGUGLLLMQAJXHGI-UHFFFAOYSA-N
MW416.57 g/mol
LogP7.50
Rot. Bonds2

About 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine

1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine (PubChem CID 58426575) has the molecular formula C30H28N2 and a molecular weight of 416.57 g/mol. Its IUPAC name is 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine.

Molecular Properties

Compound Name1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
PubChem CID58426575
Molecular FormulaC30H28N2
Molecular Weight416.57 g/mol
Exact Mass416.23
IUPAC Name1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine
SMILESc1cc2c(ccc3c2ccc2c4ccc(N5CCCC5)cc4ccc23)cc1N1CCCC1
InChIInChI=1S/C30H28N2/c1-2-16-31(15-1)23-7-11-25-21(19-23)5-9-29-27(25)13-14-28-26-12-8-24(32-17-3-4-18-32)20-22(26)6-10-30(28)29/h5-14,19-20H,1-4,15-18H2
InChIKeyGUGLLLMQAJXHGI-UHFFFAOYSA-N
XLogP7.50
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.57
LogP ≤ 57.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Related Compounds

1-(23-piperidin-1-yl-14,28-dithiaheptacyclo[15.11.0.03,15.04,13.06,11.018,27.020,25]octacosa-1(17),2,4(13),5,7,9,11,15,18(27),19,21,23,25-tridecaen-9-yl)piperidine
CID 155361898
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
formamide;1-naphthalen-2-ylpiperidine
CID 175550918
2-methyl-6-piperidin-1-ylquinoline
CID 82242491
6-pyrrolidin-1-ylchromen-2-one
CID 168512411
1-(23-piperidin-1-yl-13,18-dithiaheptacyclo[15.11.0.02,14.03,12.05,10.019,28.021,26]octacosa-1(17),2(14),3(12),4,6,8,10,15,19(28),20,22,24,26-tridecaen-8-yl)piperidine
CID 153251770
1-(4-methylnaphthalen-2-yl)pyrrolidine
CID 102172515
1-anthracen-2-ylaziridine
CID 140967358
6-pyrrolidin-1-ylquinoline-2-carboxylic acid
CID 82243885
2,2,2-trifluoro-1-(6-piperidin-1-ylnaphthalen-2-yl)ethanol
CID 166536342
1-[4-(3-phenyl-8-piperidin-1-ylbenzo[f]chromen-3-yl)phenyl]azepane
CID 69137892
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210

Frequently Asked Questions

What is the IUPAC name of 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine?
The IUPAC name of 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine (CID 58426575) is 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine.
What is the SMILES notation for 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine?
The canonical SMILES for 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine is c1cc2c(ccc3c2ccc2c4ccc(N5CCCC5)cc4ccc23)cc1N1CCCC1.
What is the InChIKey of 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine?
The InChIKey is GUGLLLMQAJXHGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N2/c1-2-16-31(15-1)23-7-11-25-21(19-23)5-9-29-27(25)13-14-28-26-12-8-24(32-17-3-4-18-32)20-22(26)6-10-30(28)29/h5-14,19-20H,1-4,15-18H2.
What are the key properties of 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine?
1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine has a molecular weight of 416.57 g/mol, XLogP of 7.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10-pyrrolidin-1-ylpicen-3-yl)pyrrolidine is sourced from PubChem (CID 58426575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).