N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine

C23H32N2 — CID 170288713

IUPACN,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(CN(C)C)c(C)c(C)c1n2C
InChIInChI=1S/C23H32N2/c1-12-13(2)16(5)22-20(15(12)4)21-18(7)19(11-24(8)9)14(3)17(6)23(21)25(22)10/h11H2,1-10H3
InChIKeyIPKZVHCMQPMPNS-UHFFFAOYSA-N
MW336.52 g/mol
LogP5.55
Rot. Bonds2

About N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine

N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine (PubChem CID 170288713) has the molecular formula C23H32N2 and a molecular weight of 336.52 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine
PubChem CID170288713
Molecular FormulaC23H32N2
Molecular Weight336.52 g/mol
Exact Mass336.26
IUPAC NameN,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine
SMILESCc1c(C)c(C)c2c(c1C)c1c(C)c(CN(C)C)c(C)c(C)c1n2C
InChIInChI=1S/C23H32N2/c1-12-13(2)16(5)22-20(15(12)4)21-18(7)19(11-24(8)9)14(3)17(6)23(21)25(22)10/h11H2,1-10H3
InChIKeyIPKZVHCMQPMPNS-UHFFFAOYSA-N
XLogP5.55
TPSA8.17 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.52
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine?
The IUPAC name of N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine (CID 170288713) is N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine is Cc1c(C)c(C)c2c(c1C)c1c(C)c(CN(C)C)c(C)c(C)c1n2C.
What is the InChIKey of N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine?
The InChIKey is IPKZVHCMQPMPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N2/c1-12-13(2)16(5)22-20(15(12)4)21-18(7)19(11-24(8)9)14(3)17(6)23(21)25(22)10/h11H2,1-10H3.
What are the key properties of N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine?
N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine has a molecular weight of 336.52 g/mol, XLogP of 5.55, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,2,4,5,6,7,8,9-octamethylcarbazol-3-yl)methanamine is sourced from PubChem (CID 170288713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).