(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine

C16H20N2 — CID 142572317

IUPAC(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine
SMILESCN[C@@H]1Cc2c[nH]c3cccc(c23)/C1=C/C(C)C
InChIInChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9-10,15,17-18H,8H2,1-3H3/b13-7-/t15-/m1/s1
InChIKeyNFJOIYREMCEHAO-LPYTZGJOSA-N
MW240.35 g/mol
LogP3.35
Rot. Bonds2

About (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine

(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine (PubChem CID 142572317) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine.

Molecular Properties

Compound Name(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine
PubChem CID142572317
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine
SMILESCN[C@@H]1Cc2c[nH]c3cccc(c23)/C1=C/C(C)C
InChIInChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9-10,15,17-18H,8H2,1-3H3/b13-7-/t15-/m1/s1
InChIKeyNFJOIYREMCEHAO-LPYTZGJOSA-N
XLogP3.35
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(5E)-4-butyl-5-butylidene-3,4-dihydro-1H-benzo[cd]indole
CID 142489197
(E)-2-methyl-3-[4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol;(Z)-2-methyl-3-[(4R,5R)-4-(methylamino)-1,3,4,5-tetrahydrobenzo[cd]indol-5-yl]prop-2-en-1-ol
CID 70357838
(6aR)-9-(iodomethyl)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091886
1-[(4S,7R)-11-azatetracyclo[7.6.1.02,7.012,16]hexadeca-1(16),2,9,12,14-pentaen-4-yl]ethanone
CID 122549277
(6S)-3,5-dimethyl-5,10-diazatetracyclo[6.6.1.02,6.011,15]pentadeca-1(15),2,8,11,13-pentaene
CID 138970687
(6aR)-9-ethyl-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium
CID 172577988
(4R)-1,3,4,5-tetrahydrobenzo[cd]indol-4-ol
CID 124707804
(4R)-4-ethyl-5-(2-methylbutyl)-1,3,4,5-tetrahydrobenzo[cd]indole
CID 71016242
7-ethyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 166091851
(6aR,9R)-7-methyl-9-(phenylsulfanylmethyl)-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline
CID 14107774
[(6aR,9S)-7-methyl-4,6,6a,7,8,9-hexahydroindolo[4,3-fg]quinolin-7-ium-9-yl]methanol
CID 7059542
(6aS,9R)-N-[(2R)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
CID 1268326

Frequently Asked Questions

What is the IUPAC name of (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine?
The IUPAC name of (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine (CID 142572317) is (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine.
What is the SMILES notation for (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine?
The canonical SMILES for (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine is CN[C@@H]1Cc2c[nH]c3cccc(c23)/C1=C/C(C)C.
What is the InChIKey of (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine?
The InChIKey is NFJOIYREMCEHAO-LPYTZGJOSA-N. The full InChI is InChI=1S/C16H20N2/c1-10(2)7-13-12-5-4-6-14-16(12)11(9-18-14)8-15(13)17-3/h4-7,9-10,15,17-18H,8H2,1-3H3/b13-7-/t15-/m1/s1.
What are the key properties of (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine?
(4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine has a molecular weight of 240.35 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5Z)-N-methyl-5-(2-methylpropylidene)-3,4-dihydro-1H-benzo[cd]indol-4-amine is sourced from PubChem (CID 142572317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).