2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine

C19H22N2 — CID 79322615

IUPAC2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc2c(c1)c1ccccc1n2CC)CN
InChIInChI=1S/C19H22N2/c1-3-14(13-20)11-15-9-10-19-17(12-15)16-7-5-6-8-18(16)21(19)4-2/h5-12H,3-4,13,20H2,1-2H3
InChIKeyXOXABMJXIGUZSZ-UHFFFAOYSA-N
MW278.40 g/mol
LogP4.57
Rot. Bonds4

About 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine

2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine (PubChem CID 79322615) has the molecular formula C19H22N2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine.

Molecular Properties

Compound Name2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
PubChem CID79322615
Molecular FormulaC19H22N2
Molecular Weight278.40 g/mol
Exact Mass278.18
IUPAC Name2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine
SMILESCCC(=Cc1ccc2c(c1)c1ccccc1n2CC)CN
InChIInChI=1S/C19H22N2/c1-3-14(13-20)11-15-9-10-19-17(12-15)16-7-5-6-8-18(16)21(19)4-2/h5-12H,3-4,13,20H2,1-2H3
InChIKeyXOXABMJXIGUZSZ-UHFFFAOYSA-N
XLogP4.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(9-ethylcarbazol-3-yl)-N-hydroxyprop-1-en-2-amine oxide
CID 163181667
3-(9-ethylcarbazol-3-yl)-2-fluoroprop-2-enoic acid
CID 79736980
(E)-2-cyano-3-(9-ethylcarbazol-3-yl)prop-2-enethioamide
CID 101167613
3-(3-bromoprop-1-enyl)-9-ethylcarbazole
CID 79324160
2-[(9-ethylcarbazol-2-yl)methylidene]propanedinitrile
CID 88823200
9-ethyl-3-[2-[4-(2-pyridin-4-ylethenyl)phenyl]ethenyl]carbazole
CID 71403116
(3E)-4-(9-ethylcarbazol-3-yl)buta-1,3-diene-1,1,2-tricarbonitrile
CID 171377802
(E)-2-(benzenesulfonyl)-3-(9-ethylcarbazol-3-yl)prop-2-enenitrile
CID 2208030
1-(2,2-diphenylethenyl)-4-[4-(2,2-diphenylethenyl)phenyl]benzene;9-ethyl-3-[2-[4-[4-[2-(9-ethylcarbazol-3-yl)ethenyl]phenyl]phenyl]ethenyl]carbazole
CID 161385391
1-(2-aminophenyl)-3-(9-ethylcarbazol-3-yl)prop-2-en-1-one
CID 71372095
(E)-N-ethyl-3-(9-ethylcarbazol-3-yl)prop-2-enamide
CID 55394225
9-ethyl-3-(2-nitroethenyl)carbazole
CID 134120826

Frequently Asked Questions

What is the IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine?
The IUPAC name of 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine (CID 79322615) is 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine.
What is the SMILES notation for 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine?
The canonical SMILES for 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine is CCC(=Cc1ccc2c(c1)c1ccccc1n2CC)CN.
What is the InChIKey of 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine?
The InChIKey is XOXABMJXIGUZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2/c1-3-14(13-20)11-15-9-10-19-17(12-15)16-7-5-6-8-18(16)21(19)4-2/h5-12H,3-4,13,20H2,1-2H3.
What are the key properties of 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine?
2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine has a molecular weight of 278.40 g/mol, XLogP of 4.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(9-ethylcarbazol-3-yl)methylidene]butan-1-amine is sourced from PubChem (CID 79322615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).