(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde

C18H24N2O — CID 10613080

IUPAC(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
SMILESCCCN(CCC)[C@H]1Cc2c[nH]c3ccc(C=O)c(c23)C1
InChIInChI=1S/C18H24N2O/c1-3-7-20(8-4-2)15-9-14-11-19-17-6-5-13(12-21)16(10-15)18(14)17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3/t15-/m0/s1
InChIKeyBYRKFQUXPHGAKS-HNNXBMFYSA-N
MW284.40 g/mol
LogP3.57
Rot. Bonds6

About (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde

(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde (PubChem CID 10613080) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
PubChem CID10613080
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
SMILESCCCN(CCC)[C@H]1Cc2c[nH]c3ccc(C=O)c(c23)C1
InChIInChI=1S/C18H24N2O/c1-3-7-20(8-4-2)15-9-14-11-19-17-6-5-13(12-21)16(10-15)18(14)17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3/t15-/m0/s1
InChIKeyBYRKFQUXPHGAKS-HNNXBMFYSA-N
XLogP3.57
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
7-(dipropylamino)-5,6,7,8-tetrahydronaphthalene-1-carbaldehyde
CID 15230497
7-(dipropylamino)-6,7,8,9-tetrahydro-1H-benzo[g]indole-3-carbaldehyde
CID 19041549
1-[7-(dipropylamino)-6,7,8,9-tetrahydro-3H-benzo[e]indol-1-yl]ethanone
CID 19041535
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxylic acid
CID 23358101
2-(dipropylamino)-2,3-dihydro-1H-indene-5-carbaldehyde
CID 19710217

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde?
The IUPAC name of (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde (CID 10613080) is (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde.
What is the SMILES notation for (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde?
The canonical SMILES for (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde is CCCN(CCC)[C@H]1Cc2c[nH]c3ccc(C=O)c(c23)C1.
What is the InChIKey of (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde?
The InChIKey is BYRKFQUXPHGAKS-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-3-7-20(8-4-2)15-9-14-11-19-17-6-5-13(12-21)16(10-15)18(14)17/h5-6,11-12,15,19H,3-4,7-10H2,1-2H3/t15-/m0/s1.
What are the key properties of (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde?
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde has a molecular weight of 284.40 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde is sourced from PubChem (CID 10613080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).