N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine

C17H25N3O — CID 15622235

IUPACN'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)C1Cc2c[nH]c3ccc(OC)c(c23)C1
InChIInChI=1S/C17H25N3O/c1-3-7-20(8-6-18)13-9-12-11-19-15-4-5-16(21-2)14(10-13)17(12)15/h4-5,11,13,19H,3,6-10,18H2,1-2H3
InChIKeySAWAAXQFBNYJIX-UHFFFAOYSA-N
MW287.41 g/mol
LogP2.31
Rot. Bonds6

About N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine

N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine (PubChem CID 15622235) has the molecular formula C17H25N3O and a molecular weight of 287.41 g/mol. Its IUPAC name is N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine.

Molecular Properties

Compound NameN'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
PubChem CID15622235
Molecular FormulaC17H25N3O
Molecular Weight287.41 g/mol
Exact Mass287.20
IUPAC NameN'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine
SMILESCCCN(CCN)C1Cc2c[nH]c3ccc(OC)c(c23)C1
InChIInChI=1S/C17H25N3O/c1-3-7-20(8-6-18)13-9-12-11-19-15-4-5-16(21-2)14(10-13)17(12)15/h4-5,11,13,19H,3,6-10,18H2,1-2H3
InChIKeySAWAAXQFBNYJIX-UHFFFAOYSA-N
XLogP2.31
TPSA54.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.41
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine with MolForge

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Related Compounds

[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl] benzoate
CID 19828707
(4R)-4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbaldehyde
CID 10613080
6-methoxy-N,N-dimethyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine;oxalic acid
CID 13356525
4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indole-6-carbothioic S-acid
CID 23358090
6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 11138151
1-[4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-yl]-2-methylpropan-1-one
CID 19750794
(E)-but-2-enedioic acid;4-(dipropylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-6-ol
CID 19828708
(4R)-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-N,N-dipropyl-1,3,4,5-tetrahydrobenzo[cd]indol-4-amine
CID 18656666
5-chloro-8-methoxy-N,N-dipropyl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 15268493
4-[ethyl(methyl)amino]-1,3,4,5-tetrahydrobenzo[cd]indole-6-carboxamide
CID 21460821
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-carboxylic acid
CID 23358101

Frequently Asked Questions

What is the IUPAC name of N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine?
The IUPAC name of N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine (CID 15622235) is N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine.
What is the SMILES notation for N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine?
The canonical SMILES for N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine is CCCN(CCN)C1Cc2c[nH]c3ccc(OC)c(c23)C1.
What is the InChIKey of N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine?
The InChIKey is SAWAAXQFBNYJIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O/c1-3-7-20(8-6-18)13-9-12-11-19-15-4-5-16(21-2)14(10-13)17(12)15/h4-5,11,13,19H,3,6-10,18H2,1-2H3.
What are the key properties of N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine?
N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine has a molecular weight of 287.41 g/mol, XLogP of 2.31, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(6-methoxy-1,3,4,5-tetrahydrobenzo[cd]indol-4-yl)-N'-propylethane-1,2-diamine is sourced from PubChem (CID 15622235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).