(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile

C14H15N3 — CID 92980675

IUPAC(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile
SMILESCN(C)[C@@H]1Cc2c[nH]c3ccc(C#N)c(c23)C1
InChIInChI=1S/C14H15N3/c1-17(2)11-5-10-8-16-13-4-3-9(7-15)12(6-11)14(10)13/h3-4,8,11,16H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyBGHGBOWZBWUXEE-LLVKDONJSA-N
MW225.29 g/mol
LogP2.07
Rot. Bonds1

About (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile

(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile (PubChem CID 92980675) has the molecular formula C14H15N3 and a molecular weight of 225.29 g/mol. Its IUPAC name is (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile.

Molecular Properties

Compound Name(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile
PubChem CID92980675
Molecular FormulaC14H15N3
Molecular Weight225.29 g/mol
Exact Mass225.13
IUPAC Name(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile
SMILESCN(C)[C@@H]1Cc2c[nH]c3ccc(C#N)c(c23)C1
InChIInChI=1S/C14H15N3/c1-17(2)11-5-10-8-16-13-4-3-9(7-15)12(6-11)14(10)13/h3-4,8,11,16H,5-6H2,1-2H3/t11-/m1/s1
InChIKeyBGHGBOWZBWUXEE-LLVKDONJSA-N
XLogP2.07
TPSA42.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-dimethyl-6-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 22915279
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
4-[methyl(propan-2-yl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358087
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
CID 15622235
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
N,N-diethyl-3-[methyl(1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)amino]propanamide
CID 163192742
3-sulfanyl-1H-indole-4-carbonitrile
CID 155575103
6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 11138151
[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile?
The IUPAC name of (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile (CID 92980675) is (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile.
What is the SMILES notation for (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile?
The canonical SMILES for (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile is CN(C)[C@@H]1Cc2c[nH]c3ccc(C#N)c(c23)C1.
What is the InChIKey of (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile?
The InChIKey is BGHGBOWZBWUXEE-LLVKDONJSA-N. The full InChI is InChI=1S/C14H15N3/c1-17(2)11-5-10-8-16-13-4-3-9(7-15)12(6-11)14(10)13/h3-4,8,11,16H,5-6H2,1-2H3/t11-/m1/s1.
What are the key properties of (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile?
(4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile has a molecular weight of 225.29 g/mol, XLogP of 2.07, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(dimethylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbonitrile is sourced from PubChem (CID 92980675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).