13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

C26H25N — CID 16723613

IUPAC13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCCCCN1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1
InChIInChI=1S/C26H25N/c1-2-3-16-27-17-21-14-12-19-8-4-6-10-23(19)25(21)26-22(18-27)15-13-20-9-5-7-11-24(20)26/h4-15H,2-3,16-18H2,1H3
InChIKeyIOXXMZZNGHAHNT-UHFFFAOYSA-N
MW351.49 g/mol
LogP6.78
Rot. Bonds3

About 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene

13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (PubChem CID 16723613) has the molecular formula C26H25N and a molecular weight of 351.49 g/mol. Its IUPAC name is 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.

Molecular Properties

Compound Name13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
PubChem CID16723613
Molecular FormulaC26H25N
Molecular Weight351.49 g/mol
Exact Mass351.20
IUPAC Name13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
SMILESCCCCN1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1
InChIInChI=1S/C26H25N/c1-2-3-16-27-17-21-14-12-19-8-4-6-10-23(19)25(21)26-22(18-27)15-13-20-9-5-7-11-24(20)26/h4-15H,2-3,16-18H2,1H3
InChIKeyIOXXMZZNGHAHNT-UHFFFAOYSA-N
XLogP6.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.49
LogP ≤ 56.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaen-13-yl)-2-methylpropan-2-ol
CID 101121823
(15E)-13,18-dimethyl-13,15,16,18-tetrazapentacyclo[18.8.0.02,11.03,8.023,28]octacosa-1(20),2(11),3,5,7,9,15,21,23,25,27-undecaene-14,17-dione
CID 10717111
pentacyclo[12.8.0.02,11.03,8.017,22]docosa-1(14),2(11),3,5,7,9,15,17,19,21-decaene
CID 2801713
13-(disulfanyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134201512
CID 119077437
CID 119077437
heptacyclo[16.12.0.02,15.03,12.04,9.021,30.024,29]triaconta-1(18),2(15),3(12),4,6,8,10,16,21(30),22,24,26,28-tridecaene
CID 11954527
13-methyl-13-silapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 100921438
heptane;phenanthrene
CID 157482146
6-bromo-2-hexyl-1,3-dihydrobenzo[de]isoquinoline
CID 141349765
1-naphthalen-1-yl-4-pentylpiperazine
CID 20649330
13-butyl-10,16-bis(4-nitrophenyl)-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 134405281
2-butyl-1-(2-butylnaphthalen-1-yl)naphthalene
CID 59129933

Frequently Asked Questions

What is the IUPAC name of 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The IUPAC name of 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene (CID 16723613) is 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene.
What is the SMILES notation for 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The canonical SMILES for 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is CCCCN1Cc2ccc3ccccc3c2-c2c(ccc3ccccc23)C1.
What is the InChIKey of 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
The InChIKey is IOXXMZZNGHAHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N/c1-2-3-16-27-17-21-14-12-19-8-4-6-10-23(19)25(21)26-22(18-27)15-13-20-9-5-7-11-24(20)26/h4-15H,2-3,16-18H2,1H3.
What are the key properties of 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene?
13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene has a molecular weight of 351.49 g/mol, XLogP of 6.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 13-butyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene is sourced from PubChem (CID 16723613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).