N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole

C54H98N6 — CID 157122077

IUPACN,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
SMILESCC.CC.CC.CC.CCN(C)C.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H13N.C13H11N.3C5H13N.C4H11N.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-4-6(3)5-2;1-4-5(2)3;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*4-5H2,1-3H3;4H2,1-3H3;4*1-2H3
InChIKeyAIBWVVHLHKIWNC-UHFFFAOYSA-N
MW831.42 g/mol
LogP14.69
Rot. Bonds8

About N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole

N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole (PubChem CID 157122077) has the molecular formula C54H98N6 and a molecular weight of 831.42 g/mol. Its IUPAC name is N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole.

Molecular Properties

Compound NameN,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
PubChem CID157122077
Molecular FormulaC54H98N6
Molecular Weight831.42 g/mol
Exact Mass830.79
IUPAC NameN,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole
SMILESCC.CC.CC.CC.CCN(C)C.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21
InChIInChI=1S/C14H13N.C13H11N.3C5H13N.C4H11N.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-4-6(3)5-2;1-4-5(2)3;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*4-5H2,1-3H3;4H2,1-3H3;4*1-2H3
InChIKeyAIBWVVHLHKIWNC-UHFFFAOYSA-N
XLogP14.69
TPSA22.82 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms60
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500831.42
LogP ≤ 514.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 90350910
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9H-carbazole;9-ethylcarbazole
CID 159391034
N,N-dimethyl-1-(9-methylcarbazol-3-yl)methanamine
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CID 19788789
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CID 159667815

Frequently Asked Questions

What is the IUPAC name of N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole?
The IUPAC name of N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole (CID 157122077) is N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole.
What is the SMILES notation for N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole?
The canonical SMILES for N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole is CC.CC.CC.CC.CCN(C)C.CCN(C)CC.CCN(C)CC.CCN(C)CC.CCn1c2ccccc2c2ccccc21.Cn1c2ccccc2c2ccccc21.
What is the InChIKey of N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole?
The InChIKey is AIBWVVHLHKIWNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N.C13H11N.3C5H13N.C4H11N.4C2H6/c1-2-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15;1-14-12-8-4-2-6-10(12)11-7-3-5-9-13(11)14;3*1-4-6(3)5-2;1-4-5(2)3;4*1-2/h3-10H,2H2,1H3;2-9H,1H3;3*4-5H2,1-3H3;4H2,1-3H3;4*1-2H3.
What are the key properties of N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole?
N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole has a molecular weight of 831.42 g/mol, XLogP of 14.69, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylethanamine;ethane;9-ethylcarbazole;tris(N-ethyl-N-methylethanamine);9-methylcarbazole is sourced from PubChem (CID 157122077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).